A0A060W1P4_ONCMY Loading...

S-adenosylmethionine synthase

Catalyzes the formation of S-adenosylmethionine from methionine and ATP.

AlphaFold DB , UniProt , Accession A0A060W1P4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mat2aa, Length 395 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	48.4	Very low	236 Å²	236	122.9 Å²	122.9	100%	1.163	70%	0.696	S	S	*	*				0	85	0	-88	-175.5	-88.4	0	0	107.4
2	N	37	Very low	49.5	Very low	160 Å²	160	117.4 Å²	117.4	86%	0.856	66%	0.663	S	S	*	*			trans	-108.1	95.9	179	-71.5	5.5	0	0	0	107.1	Q4	N2-Q4 PolarHBondContact O-N 2.87Å
3	G	37.1	Very low	51	Low	69 Å²	69	111.2 Å²	111.2	71%	0.711	63%	0.626	S	S	*	*			trans	-53.2	127.9	165	0	0	0	0	0	107.9	L5	G3-L5 PolarHBondContact O-N 3.19Å
4	Q	45.6	Very low	52.6	Low	140 Å²	140	109.5 Å²	109.5	65%	0.654	62%	0.615	S	S	*	*			trans	-57.9	105.7	173.8	-76.5	177.4	-30.3	0	0	107.8	N2 N6	N2-Q4 PolarHBondContact O-N 2.87Å; Q4-N6 PolarHBondContact O-N 2.83Å
5	L	51.8	Low	53.9	Low	105 Å²	105	115.7 Å²	115.7	55%	0.55	64%	0.637	S	S	.	*			trans	-63.6	106.6	170.8	-76.6	158.8	0	0	0	107	G3	G3-L5 PolarHBondContact O-N 3.19Å
6	N	51.3	Low	55.9	Low	136 Å²	136	116.8 Å²	116.8	73%	0.727	64%	0.642	S	S	*	*			trans	-104.1	109.1	176.4	-75.8	-20.8	0	0	0	108.1	Q4	Q4-N6 PolarHBondContact O-N 2.83Å
7	G	50.9	Low	58.2	Low	63 Å²	63	110.9 Å²	110.9	65%	0.649	61%	0.611	S	S	*	*	S	Bend	trans	137.7	169.6	170.7	0	0	0	0	0	115.7
8	F	51.8	Low	60.3	Low	152 Å²	152	108.4 Å²	108.4	67%	0.667	59%	0.593	S	S	*	*			trans	-83	116.6	175	-170.8	-107.5	0	0	0	109.5	N10 I13 L19	F8-N10 WeakPolarHBondContact CE1-OD1 3.26Å; F8-I13 HydrophobicContact CZ-CD1 4.27Å; F8-L19 HydrophobicContact CE2-CD1 4.06Å
9	H	58.1	Low	62.2	Low	75 Å²	75	104.7 Å²	104.7	35%	0.347	57%	0.572	S	S	.	*			trans	-106.9	97.1	-178.1	-75.6	-72.7	0	0	0	111.2	S11	H9-S11 PolarHBondContact O-N 2.79Å
10	N	57.6	Low	64.1	Low	111 Å²	111	102 Å²	102	59%	0.594	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-63.5	-17	177.2	-90.6	-17.2	0	0	0	114.6	F8 L12 I13	F8-N10 WeakPolarHBondContact CE1-OD1 3.26Å; N10-L12 PolarHBondContact O-N 2.93Å; N10-L12 VanDerWaalsContact O-N 3.09Å; N10-I13 PolarHBondContact O-N 3.19Å
11	S	57.8	Low	65.7	Low	105 Å²	105	99.8 Å²	99.8	73%	0.734	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-69.9	-4.1	-174.8	55.4	0	0	0	0	114.6	H9	H9-S11 PolarHBondContact O-N 2.79Å
12	L	61.6	Low	68.8	Low	57 Å²	57	88.7 Å²	88.7	30%	0.298	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-113.8	9.3	-176.3	-64.2	171.1	0	0	0	113.3	N10 D239	N10-L12 PolarHBondContact O-N 2.93Å; N10-L12 VanDerWaalsContact O-N 3.09Å; L12-D239 HydrophobicContact CD2-CB 4.49Å
13	I	68.9	Low	71.8	Confident	36 Å²	36	84.6 Å²	84.6	19%	0.185	47%	0.465	C	S	.	.	S	Bend	trans	-113.2	120.4	-179	-52	172.2	0	0	0	108.3	F8 N10 C17 L19	F8-I13 HydrophobicContact CZ-CD1 4.27Å; N10-I13 PolarHBondContact O-N 3.19Å; I13-C17 HydrophobicContact CG2-CB 3.72Å; I13-C17 VanDerWaalsContact CG2-O 3.28Å; I13-C17 WeakPolarHBondContact CG2-O 3.49Å; I13-L19 HydrophobicContact CD1-CD1 3.82Å; I13-L19 HydrophobicContact CD1-CD2 4.46Å; I13-L19 HydrophobicContact CD1-CG 3.79Å; I13-L19 HydrophobicContact CG1-CD1 4.4Å; I13-L19 HydrophobicContact CG1-CD2 4.42Å; I13-L19 HydrophobicContact CG1-CG 4.27Å
14	D	73.5	Confident	74.7	Confident	88 Å²	88	81.3 Å²	81.3	47%	0.471	43%	0.432	S	S	.	.			trans	-60.4	152.3	172.7	-56.7	-27.8	0	0	0	110.8	D16 C17 R189	D14-D16 PolarHBondContact O-N 3.05Å; D14-C17 HydrophobicContact CB-CB 4.18Å; D14-C17 WeakPolarHBondContact O-CB 3.47Å; D14-C17 PolarHBondContact O-N 3.28Å; D14-R189 IonicContact OD2-NH2 3.39Å
15	E	72.6	Confident	77.3	Confident	203 Å²	203	74.7 Å²	74.7	95%	0.949	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.6	-174.5	-69.8	-174	154.9	0	0	114.9
16	D	85.9	Confident	79.5	Confident	133 Å²	133	69.8 Å²	69.8	71%	0.711	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	12.1	178.1	-66.3	-41	0	0	0	114.2	D14	D14-D16 PolarHBondContact O-N 3.05Å
17	C	94.4	Very high	81.8	Confident	17 Å²	17	63.5 Å²	63.5	12%	0.115	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	157.5	-177.7	-74.5	0	0	0	0	112.3	I13 D14 Q187 Y188	I13-C17 HydrophobicContact CG2-CB 3.72Å; I13-C17 VanDerWaalsContact CG2-O 3.28Å; I13-C17 WeakPolarHBondContact CG2-O 3.49Å; D14-C17 HydrophobicContact CB-CB 4.18Å; D14-C17 WeakPolarHBondContact O-CB 3.47Å; D14-C17 PolarHBondContact O-N 3.28Å; C17-Q187 HydrophobicContact CB-CG 3.88Å; C17-Y188 CarbonylContact C-O 3.58Å; C17-Y188 WeakPolarHBondContact CA-O 3.28Å; C17-Y188 WeakPolarHBondContact CB-O 3.33Å
18	F	95.8	Very high	84	Confident	65 Å²	65	60.5 Å²	60.5	29%	0.285	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163.4	171.1	68.9	-82.4	0	0	0	110.9	F20 Q187 Y188 M195 W274	F18-F20 HydrophobicContact CE2-CB 4.15Å; F18-F20 HydrophobicContact CE2-CD2 4.38Å; F18-Q187 CarbonylContact O-C 3.59Å; F18-Q187 WeakPolarHBondContact O-CA 3.34Å; F18-Y188 HydrophobicContact CE2-CD2 4.4Å; F18-Y188 HydrophobicContact CE2-CG 4.44Å; F18-Y188 VanDerWaalsContact CZ-CB 3.42Å; F18-Y188 HydrophobicContact CZ-CD2 4.48Å; F18-Y188 HydrophobicContact CZ-CG 4.08Å; F18-Y188 PolarHBondContact N-O 3.16Å; F18-Y188 PolarHBondContact O-N 3.44Å; F18-M195 HydrophobicContact CE1-CE 4.49Å; F18-M195 HydrophobicContact CE1-SD 4.05Å; F18-M195 HydrophobicContact CZ-CE 4.49Å; F18-M195 HydrophobicContact CZ-SD 3.51Å; F18-M195 VanDerWaalsContact CZ-SD 3.51Å; F18-W274 AromaticContact CE2-CH2 3.85Å; F18-W274 HydrophobicContact CE2-CH2 3.85Å; F18-W274 AromaticContact CZ-CH2 3.9Å; F18-W274 HydrophobicContact CZ-CH2 3.9Å
19	L	97.4	Very high	86.3	Confident	39 Å²	39	53.4 Å²	53.4	20%	0.204	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.8	176.2	-59.9	-176.6	0	0	0	110.5	F8 I13 T185 V186 Q187 H201	F8-L19 HydrophobicContact CE2-CD1 4.06Å; I13-L19 HydrophobicContact CD1-CD1 3.82Å; I13-L19 HydrophobicContact CD1-CD2 4.46Å; I13-L19 HydrophobicContact CD1-CG 3.79Å; I13-L19 HydrophobicContact CG1-CD1 4.4Å; I13-L19 HydrophobicContact CG1-CD2 4.42Å; I13-L19 HydrophobicContact CG1-CG 4.27Å; L19-T185 HydrophobicContact CB-CG2 3.93Å; L19-T185 HydrophobicContact CD1-CG2 4.31Å; L19-T185 HydrophobicContact CD2-CG2 4.42Å; L19-T185 HydrophobicContact CG-CG2 4.45Å; L19-V186 WeakPolarHBondContact CA-O 3.47Å; L19-Q187 HydrophobicContact CD2-CB 3.75Å; L19-Q187 HydrophobicContact CD2-CG 4.16Å; L19-H201 HydrophobicContact CD2-CB 3.87Å
20	F	98.6	Very high	88.2	Confident	50 Å²	50	49.9 Å²	49.9	22%	0.219	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.4	169.4	-156.7	-81.5	0	0	0	110.5	F18 T153 T185 V186 Y188 W274	F18-F20 HydrophobicContact CE2-CB 4.15Å; F18-F20 HydrophobicContact CE2-CD2 4.38Å; F20-T153 WeakPolarHBondContact O-CG2 3.49Å; F20-T185 CarbonylContact O-C 3.51Å; F20-T185 VanDerWaalsContact O-CA 3.29Å; F20-T185 WeakPolarHBondContact O-CA 3.16Å; F20-V186 PolarHBondContact N-O 3.39Å; F20-V186 PolarHBondContact O-N 2.94Å; F20-Y188 HydrophobicContact CB-CD2 4.03Å; F20-Y188 HydrophobicContact CB-CE2 4Å; F20-W274 HydrophobicContact CB-CH2 4.13Å; F20-W274 HydrophobicContact CB-CZ2 3.47Å; F20-W274 VanDerWaalsContact CB-CZ2 3.47Å; F20-W274 AromaticContact CD1-CD1 3.72Å; F20-W274 HydrophobicContact CD1-CD2 4.08Å; F20-W274 AromaticContact CD1-CE2 3.3Å; F20-W274 HydrophobicContact CD1-CG 4.34Å; F20-W274 AromaticContact CD1-CZ2 3.64Å; F20-W274 HydrophobicContact CD1-CZ2 3.64Å; F20-W274 AromaticContact CD1-NE1 3.05Å; F20-W274 HydrophobicContact CD2-CD2 4.28Å; F20-W274 AromaticContact CD2-CE2 3.86Å; F20-W274 HydrophobicContact CD2-CE3 4.45Å; F20-W274 AromaticContact CD2-CH2 3.85Å; F20-W274 HydrophobicContact CD2-CH2 3.85Å; F20-W274 AromaticContact CD2-CZ2 3.65Å; F20-W274 HydrophobicContact CD2-CZ2 3.65Å; F20-W274 HydrophobicContact CD2-CZ3 4.23Å; F20-W274 AromaticContact CE1-CD1 3.37Å; F20-W274 AromaticContact CE1-CD2 3.89Å; F20-W274 HydrophobicContact CE1-CD2 3.89Å; F20-W274 AromaticContact CE1-CE2 3.58Å; F20-W274 AromaticContact CE1-CG 3.82Å; F20-W274 HydrophobicContact CE1-CG 3.82Å; F20-W274 HydrophobicContact CE1-CZ2 4.29Å; F20-W274 AromaticContact CE1-NE1 3.25Å; F20-W274 VanDerWaalsContact CE1-NE1 3.25Å; F20-W274 HydrophobicContact CE2-CD2 4.09Å; F20-W274 HydrophobicContact CE2-CE3 4.24Å; F20-W274 HydrophobicContact CE2-CH2 4.43Å; F20-W274 HydrophobicContact CE2-CZ2 4.29Å; F20-W274 HydrophobicContact CE2-CZ3 4.4Å; F20-W274 HydrophobicContact CG-CD2 4.28Å; F20-W274 AromaticContact CG-CE2 3.45Å; F20-W274 VanDerWaalsContact CG-CE2 3.45Å; F20-W274 AromaticContact CG-CH2 3.94Å; F20-W274 HydrophobicContact CG-CH2 3.94Å; F20-W274 AromaticContact CG-CZ2 3.27Å; F20-W274 HydrophobicContact CG-CZ2 3.27Å; F20-W274 AromaticContact CG-NE1 3.72Å; F20-W274 AromaticContact CZ-CD2 3.89Å; F20-W274 HydrophobicContact CZ-CD2 3.89Å; F20-W274 AromaticContact CZ-CE2 3.97Å; F20-W274 HydrophobicContact CZ-CE3 4.42Å; F20-W274 AromaticContact CZ-CG 3.98Å; F20-W274 HydrophobicContact CZ-CG 3.98Å
21	T	98.9	Very high	90.2	Very high	55 Å²	55	44.9 Å²	44.9	34%	0.337	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133	-174.4	-57	0	0	0	0	110.9	Q183 V184 T185	T21-Q183 VanDerWaalsContact CG2-CD 3.43Å; T21-Q183 HydrophobicContact CG2-CG 3.25Å; T21-V184 WeakPolarHBondContact CA-O 3.4Å; T21-T185 WeakPolarHBondContact CG2-OG1 3.32Å; T21-T185 WeakPolarHBondContact OG1-CB 3.25Å; T21-T185 WeakPolarHBondContact OG1-CG2 3.44Å; T21-T185 PolarHBondContact OG1-OG1 2.84Å
22	S	98.9	Very high	92.1	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148	168.4	-56.5	0	0	0	0	110.3	T153 Q183 V184 G272	S22-T153 VanDerWaalsContact OG-CB 3.24Å; S22-T153 WeakPolarHBondContact OG-CB 3.34Å; S22-T153 PolarHBondContact OG-OG1 3.12Å; S22-Q183 WeakPolarHBondContact O-CA 3.39Å; S22-V184 PolarHBondContact N-O 3.38Å; S22-V184 PolarHBondContact O-N 3.37Å; S22-G272 VanDerWaalsContact CB-O 3.28Å; S22-G272 WeakPolarHBondContact CB-O 3.27Å; S22-G272 PolarHBondContact OG-O 3.21Å
23	E	98.9	Very high	93.9	Very high	74 Å²	74	37.2 Å²	37.2	35%	0.346	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	159.1	172.5	67.5	162.2	-161.8	0	0	112.4	I154 T182 Q183 V268	E23-I154 WeakPolarHBondContact O-CD1 2.82Å; E23-T182 CarbonylContact C-O 3.52Å; E23-T182 VanDerWaalsContact CA-O 3.27Å; E23-T182 WeakPolarHBondContact CA-O 3.38Å; E23-Q183 HydrophobicContact CB-CB 4.23Å; E23-Q183 HydrophobicContact CB-CG 4.18Å; E23-V268 HydrophobicContact CG-CG2 4.26Å
24	S	98.9	Very high	95.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	164.9	168.6	-174.4	0	0	0	0	110.3	H158 N161 K181 T182	S24-H158 WeakPolarHBondContact CB-ND1 3.27Å; S24-H158 PolarHBondContact OG-CE1 3.33Å; S24-H158 PolarHBondContact OG-ND1 3.4Å; S24-N161 VanDerWaalsContact C-ND2 3.3Å; S24-N161 PolarHBondContact O-ND2 3.42Å; S24-K181 WeakPolarHBondContact O-CA 3.17Å; S24-T182 PolarHBondContact N-O 2.91Å; S24-T182 PolarHBondContact O-N 3.36Å; S24-T182 VanDerWaalsContact O-O 3.12Å
25	V	98.9	Very high	96.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.3	179.8	-56.7	0	0	0	0	110.4	H29 K32 N161 S180 K181 K265	V25-H29 HydrophobicContact CB-CB 3.73Å; V25-H29 HydrophobicContact CG2-CB 3.82Å; V25-K32 HydrophobicContact CG2-CB 4.37Å; V25-K32 HydrophobicContact CG2-CD 4.5Å; V25-K32 HydrophobicContact CG2-CG 3.39Å; V25-N161 PolarHBondContact N-ND2 2.98Å; V25-S180 CarbonylContact C-O 3.52Å; V25-S180 VanDerWaalsContact CA-O 3.23Å; V25-S180 WeakPolarHBondContact CA-O 3.5Å; V25-S180 WeakPolarHBondContact CB-O 3.28Å; V25-K181 HydrophobicContact CG1-CB 4.24Å; V25-K181 HydrophobicContact CG1-CD 4.5Å; V25-K181 HydrophobicContact CG1-CG 3.93Å; V25-K265 HydrophobicContact CG1-CD 4.32Å; V25-K265 HydrophobicContact CG2-CD 3.99Å; V25-K265 HydrophobicContact CG2-CG 4.28Å
26	G	98.7	Very high	97.8	Very high	2 Å²	2	21.8 Å²	21.8	2%	0.021	11%	0.112	C	C	.	.			trans	-79.1	173.3	-179.8	0	0	0	0	0	113.8	G28 H29 N161 S180	G26-G28 PolarHBondContact O-N 3.32Å; G26-G28 VanDerWaalsContact O-N 3.13Å; G26-H29 WeakPolarHBondContact O-CB 3.13Å; G26-H29 PolarHBondContact O-N 3.47Å; G26-H29 VanDerWaalsContact O-N 3.16Å; G26-N161 PolarHBondContact N-OD1 2.77Å; G26-S180 WeakPolarHBondContact CA-OG 3.43Å; G26-S180 PolarHBondContact N-O 3.02Å; G26-S180 PolarHBondContact N-OG 2.94Å
27	E	98.9	Very high	98.4	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.019	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.4	-179	-68.1	169.9	-90.4	0	0	113.5	Q36 Y89 I90 A165 R169 A376 Y377	E27-Q36 PolarHBondContact O-NE2 3.18Å; E27-Y89 WeakPolarHBondContact OE2-CE1 3.13Å; E27-Y89 PolarHBondContact OE2-OH 3.34Å; E27-I90 HydrophobicContact CB-CG1 4.4Å; E27-I90 HydrophobicContact CB-CG2 4.34Å; E27-I90 WeakPolarHBondContact O-CG2 3.4Å; E27-A165 WeakPolarHBondContact OE1-CB 3.32Å; E27-R169 VanDerWaalsContact CD-NH2 3.3Å; E27-R169 IonicContact OE1-CZ 3.24Å; E27-R169 VanDerWaalsContact OE1-CZ 3.28Å; E27-R169 IonicContact OE1-NH1 3.75Å; E27-R169 PolarHBondContact OE1-NH1 3.24Å; E27-R169 IonicContact OE1-NH2 2.97Å; E27-R169 PolarHBondContact OE1-NH2 3.4Å; E27-R169 VanDerWaalsContact OE1-NH2 3.14Å; E27-R169 IonicContact OE2-CZ 2.67Å; E27-R169 IonicContact OE2-NH1 3.17Å; E27-R169 PolarHBondContact OE2-NH1 2.88Å; E27-R169 IonicContact OE2-NH2 3Å; E27-R169 PolarHBondContact OE2-NH2 2.9Å; E27-A376 HydrophobicContact CG-CB 4.07Å; E27-Y377 HydrophobicContact CG-CE2 3.73Å; E27-Y377 WeakPolarHBondContact CG-OH 3.45Å; E27-Y377 PolarHBondContact OE1-OH 3.03Å
28	G	98.8	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	4	-178.7	0	0	0	0	0	115.9	G26 Y92 P178	G26-G28 PolarHBondContact O-N 3.32Å; G26-G28 VanDerWaalsContact O-N 3.13Å; G28-Y92 WeakPolarHBondContact O-CE2 3.26Å; G28-Y92 PolarHBondContact O-OH 2.8Å; G28-P178 WeakPolarHBondContact CA-O 3.36Å; G28-P178 PolarHBondContact N-O 3.43Å
29	H	98.9	Very high	98.8	Very high	3 Å²	3	11.6 Å²	11.6	1%	0.014	6%	0.059	C	C	.	.	S	Bend	trans	-63.4	133.9	168.8	178.7	-70.6	0	0	0	108.8	V25 G26 D31 K32 I33 D179 K265	V25-H29 HydrophobicContact CB-CB 3.73Å; V25-H29 HydrophobicContact CG2-CB 3.82Å; G26-H29 WeakPolarHBondContact O-CB 3.13Å; G26-H29 PolarHBondContact O-N 3.47Å; G26-H29 VanDerWaalsContact O-N 3.16Å; H29-D31 IonicContact CE1-OD2 3.25Å; H29-D31 PolarHBondContact CE1-OD2 3.2Å; H29-D31 VanDerWaalsContact CE1-OD2 3.25Å; H29-D31 PolarHBondContact ND1-N 3.29Å; H29-D31 VanDerWaalsContact ND1-N 3.17Å; H29-D31 IonicContact ND1-OD2 3.93Å; H29-D31 PolarHBondContact O-N 2.93Å; H29-K32 HydrophobicContact CB-CB 4.33Å; H29-K32 CarbonylContact O-C 3.58Å; H29-K32 WeakPolarHBondContact O-CA 3.41Å; H29-K32 PolarHBondContact O-N 2.7Å; H29-I33 WeakPolarHBondContact O-CG1 3.35Å; H29-I33 PolarHBondContact O-N 2.9Å; H29-D179 WeakPolarHBondContact CA-OD1 3.47Å; H29-D179 IonicContact CD2-OD1 3.94Å; H29-K265 WeakPolarHBondContact CE1-CE 3.43Å; H29-K265 PolarHBondContact CE1-NZ 3.1Å
30	P	98.8	Very high	98.9	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-58.1	-41.3	-168.3	19.9	-31.5	0	0	0	113.9	K32 I33 C34 P255 D258 G260	P30-K32 VanDerWaalsContact C-N 3.31Å; P30-K32 PolarHBondContact O-N 2.82Å; P30-I33 WeakPolarHBondContact O-CB 3.47Å; P30-I33 PolarHBondContact O-N 3.28Å; P30-C34 PolarHBondContact O-N 2.7Å; P30-C34 PolarHBondContact O-SG 3.44Å; P30-C34 VanDerWaalsContact O-SG 3.38Å; P30-P255 HydrophobicContact CB-CG 4.41Å; P30-D258 HydrophobicContact CG-CB 3.98Å; P30-G260 VanDerWaalsContact C-CA 3.46Å
31	D	98.9	Very high	98.9	Very high	6 Å²	6	7.6 Å²	7.6	3%	0.032	4%	0.042	C	C	.	.	H	α-helix	trans	-60.8	-37.4	171.9	-64.7	-34.8	0	0	0	113.3	H29 C34 D35 G260 L261 R264 K265	H29-D31 IonicContact CE1-OD2 3.25Å; H29-D31 PolarHBondContact CE1-OD2 3.2Å; H29-D31 VanDerWaalsContact CE1-OD2 3.25Å; H29-D31 PolarHBondContact ND1-N 3.29Å; H29-D31 VanDerWaalsContact ND1-N 3.17Å; H29-D31 IonicContact ND1-OD2 3.93Å; H29-D31 PolarHBondContact O-N 2.93Å; D31-C34 WeakPolarHBondContact O-CB 3.4Å; D31-C34 PolarHBondContact O-N 3.1Å; D31-D35 PolarHBondContact O-N 3.5Å; D31-G260 VanDerWaalsContact OD1-CA 3.32Å; D31-G260 WeakPolarHBondContact OD1-CA 3.31Å; D31-L261 PolarHBondContact OD1-N 3.08Å; D31-R264 HydrophobicContact CB-CB 4.19Å; D31-R264 VanDerWaalsContact CG-CB 3.5Å; D31-K265 HydrophobicContact CB-CG 3.73Å; D31-K265 IonicContact OD2-NZ 2.63Å; D31-K265 PolarHBondContact OD2-NZ 3.04Å
32	K	98.9	Very high	98.9	Very high	1 Å²	1	5 Å²	5	0%	0.004	3%	0.026	C	C	.	.	H	α-helix	trans	-75.9	-26.4	178	-78.3	-43.6	-160.2	175.1	0	113.8	V25 H29 P30 C34 D35 Q36 K265 D269 A375	V25-K32 HydrophobicContact CG2-CB 4.37Å; V25-K32 HydrophobicContact CG2-CD 4.5Å; V25-K32 HydrophobicContact CG2-CG 3.39Å; H29-K32 HydrophobicContact CB-CB 4.33Å; H29-K32 CarbonylContact O-C 3.58Å; H29-K32 WeakPolarHBondContact O-CA 3.41Å; H29-K32 PolarHBondContact O-N 2.7Å; P30-K32 VanDerWaalsContact C-N 3.31Å; P30-K32 PolarHBondContact O-N 2.82Å; K32-C34 VanDerWaalsContact C-N 3.29Å; K32-D35 HydrophobicContact CD-CB 4.1Å; K32-D35 VanDerWaalsContact CD-OD2 3.23Å; K32-D35 WeakPolarHBondContact CD-OD2 3.46Å; K32-D35 IonicContact NZ-OD2 3.56Å; K32-D35 PolarHBondContact NZ-OD2 2.6Å; K32-Q36 WeakPolarHBondContact O-CB 3.46Å; K32-Q36 VanDerWaalsContact O-CG 3.32Å; K32-Q36 WeakPolarHBondContact O-CG 3.46Å; K32-Q36 PolarHBondContact O-N 2.72Å; K32-Q36 PolarHBondContact O-NE2 2.84Å; K32-K265 HydrophobicContact CD-CB 4.22Å; K32-K265 HydrophobicContact CD-CG 4.42Å; K32-D269 VanDerWaalsContact CE-OD1 3.31Å; K32-D269 WeakPolarHBondContact CE-OD1 3.49Å; K32-D269 IonicContact NZ-OD1 3.6Å; K32-D269 PolarHBondContact NZ-OD1 2.77Å; K32-D269 IonicContact NZ-OD2 2.83Å; K32-D269 PolarHBondContact NZ-OD2 3.41Å; K32-A375 VanDerWaalsContact CD-O 3.32Å; K32-A375 WeakPolarHBondContact CD-O 3.43Å; K32-A375 VanDerWaalsContact CE-O 3.31Å; K32-A375 WeakPolarHBondContact CE-O 3.47Å; K32-A375 PolarHBondContact NZ-O 2.9Å
33	I	98.9	Very high	98.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-59.1	-47.8	165.7	-60.2	173.1	0	0	0	108.9	H29 P30 Q36 I37 I65 I90 Y92 P255	H29-I33 WeakPolarHBondContact O-CG1 3.35Å; H29-I33 PolarHBondContact O-N 2.9Å; P30-I33 WeakPolarHBondContact O-CB 3.47Å; P30-I33 PolarHBondContact O-N 3.28Å; I33-Q36 PolarHBondContact O-N 3Å; I33-I37 HydrophobicContact CG2-CD1 3.61Å; I33-I37 HydrophobicContact CG2-CG1 4.37Å; I33-I37 WeakPolarHBondContact O-CB 3.41Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.38Å; I33-I37 PolarHBondContact O-N 3.45Å; I33-I65 HydrophobicContact CG2-CD1 4.45Å; I33-I90 HydrophobicContact CB-CD1 4.34Å; I33-I90 HydrophobicContact CG1-CD1 4.14Å; I33-I90 HydrophobicContact CG2-CD1 4.19Å; I33-Y92 HydrophobicContact CD1-CD2 3.96Å; I33-Y92 HydrophobicContact CD1-CE2 3.56Å; I33-Y92 HydrophobicContact CG1-CE2 4.42Å; I33-P255 HydrophobicContact CD1-CG 3.74Å
34	C	98.9	Very high	98.9	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-61	-48.9	179.5	-65.1	0	0	0	0	112.4	P30 D31 K32 Q36 I37 S38 T58 A60 G260 T262	P30-C34 PolarHBondContact O-N 2.7Å; P30-C34 PolarHBondContact O-SG 3.44Å; P30-C34 VanDerWaalsContact O-SG 3.38Å; D31-C34 WeakPolarHBondContact O-CB 3.4Å; D31-C34 PolarHBondContact O-N 3.1Å; K32-C34 VanDerWaalsContact C-N 3.29Å; C34-Q36 VanDerWaalsContact C-N 3.34Å; C34-Q36 PolarHBondContact O-N 3.2Å; C34-I37 PolarHBondContact O-N 2.88Å; C34-S38 WeakPolarHBondContact O-CB 3.41Å; C34-S38 PolarHBondContact O-N 2.64Å; C34-S38 PolarHBondContact O-OG 3.14Å; C34-T58 HydrophobicContact CB-CG2 4.03Å; C34-T58 VanDerWaalsContact CB-O 3.32Å; C34-T58 WeakPolarHBondContact CB-O 3.14Å; C34-T58 PolarHBondContact SG-O 3.35Å; C34-T58 VanDerWaalsContact SG-O 3.33Å; C34-A60 VanDerWaalsContact SG-CB 3.54Å; C34-A60 PolarHBondContact SG-N 3.4Å; C34-G260 PolarHBondContact SG-O 2.87Å; C34-T262 PolarHBondContact O-OG1 2.7Å
35	D	98.9	Very high	98.9	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-56.2	-46.9	176.4	-75.3	-34.9	0	0	0	112.4	D31 K32 I37 S38 D39 G263 S283 A375	D31-D35 PolarHBondContact O-N 3.5Å; K32-D35 HydrophobicContact CD-CB 4.1Å; K32-D35 VanDerWaalsContact CD-OD2 3.23Å; K32-D35 WeakPolarHBondContact CD-OD2 3.46Å; K32-D35 IonicContact NZ-OD2 3.56Å; K32-D35 PolarHBondContact NZ-OD2 2.6Å; D35-I37 PolarHBondContact O-N 2.78Å; D35-S38 PolarHBondContact O-N 2.89Å; D35-D39 PolarHBondContact O-N 2.76Å; D35-G263 PolarHBondContact OD1-N 3.04Å; D35-S283 VanDerWaalsContact CB-OG 3.28Å; D35-S283 WeakPolarHBondContact CB-OG 3.29Å; D35-S283 WeakPolarHBondContact O-CB 3.49Å; D35-S283 WeakPolarHBondContact OD1-CB 3.48Å; D35-S283 PolarHBondContact OD1-OG 3.44Å; D35-S283 VanDerWaalsContact OD1-OG 3.13Å; D35-A375 HydrophobicContact CB-CB 4.19Å
36	Q	98.9	Very high	98.9	Very high	4 Å²	4	2.8 Å²	2.8	2%	0.019	2%	0.017	C	C	.	.	H	α-helix	trans	-65.7	-37.5	179.6	-75.4	167.9	90.6	0	0	112.6	E27 K32 I33 C34 A40 T86 I90 A375 A376	E27-Q36 PolarHBondContact O-NE2 3.18Å; K32-Q36 WeakPolarHBondContact O-CB 3.46Å; K32-Q36 VanDerWaalsContact O-CG 3.32Å; K32-Q36 WeakPolarHBondContact O-CG 3.46Å; K32-Q36 PolarHBondContact O-N 2.72Å; K32-Q36 PolarHBondContact O-NE2 2.84Å; I33-Q36 PolarHBondContact O-N 3Å; C34-Q36 VanDerWaalsContact C-N 3.34Å; C34-Q36 PolarHBondContact O-N 3.2Å; Q36-A40 VanDerWaalsContact O-CB 3.26Å; Q36-A40 WeakPolarHBondContact O-CB 3.29Å; Q36-A40 PolarHBondContact O-N 2.98Å; Q36-T86 HydrophobicContact CB-CG2 4.03Å; Q36-I90 HydrophobicContact CB-CD1 4.46Å; Q36-A375 HydrophobicContact CB-CB 4.29Å; Q36-A375 HydrophobicContact CG-CB 3.75Å; Q36-A376 HydrophobicContact CG-CB 4.41Å
37	I	98.9	Very high	98.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-68	-47	176.4	-71.8	169.3	0	0	0	110.5	I33 C34 D35 D39 A40 V41 T58 I65 L67 V83 T86 I87	I33-I37 HydrophobicContact CG2-CD1 3.61Å; I33-I37 HydrophobicContact CG2-CG1 4.37Å; I33-I37 WeakPolarHBondContact O-CB 3.41Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.38Å; I33-I37 PolarHBondContact O-N 3.45Å; C34-I37 PolarHBondContact O-N 2.88Å; D35-I37 PolarHBondContact O-N 2.78Å; I37-D39 VanDerWaalsContact C-N 3.28Å; I37-D39 PolarHBondContact O-N 2.71Å; I37-A40 WeakPolarHBondContact O-CB 3.27Å; I37-A40 PolarHBondContact O-N 2.98Å; I37-A40 VanDerWaalsContact O-N 3.08Å; I37-V41 WeakPolarHBondContact O-CG2 3.22Å; I37-V41 PolarHBondContact O-N 3.45Å; I37-T58 HydrophobicContact CB-CG2 4.06Å; I37-T58 HydrophobicContact CD1-CG2 4.19Å; I37-T58 HydrophobicContact CG2-CG2 3.88Å; I37-T58 WeakPolarHBondContact CG2-OG1 3.47Å; I37-I65 HydrophobicContact CD1-CD1 3.87Å; I37-I65 HydrophobicContact CD1-CG1 4.13Å; I37-I65 HydrophobicContact CD1-CG2 4.13Å; I37-L67 HydrophobicContact CG2-CD2 3.64Å; I37-V83 HydrophobicContact CD1-CG1 4.23Å; I37-V83 HydrophobicContact CG2-CG2 3.81Å; I37-T86 HydrophobicContact CG1-CG2 3.74Å; I37-I87 HydrophobicContact CD1-CG1 4.09Å
38	S	98.9	Very high	98.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.4	-42.6	178.7	-63.6	0	0	0	0	111.5	C34 D35 V41 L42 C56 T58 T262	C34-S38 WeakPolarHBondContact O-CB 3.41Å; C34-S38 PolarHBondContact O-N 2.64Å; C34-S38 PolarHBondContact O-OG 3.14Å; D35-S38 PolarHBondContact O-N 2.89Å; S38-V41 PolarHBondContact O-N 3.19Å; S38-L42 PolarHBondContact O-N 3.4Å; S38-C56 WeakPolarHBondContact CB-O 3.37Å; S38-C56 PolarHBondContact OG-O 3.32Å; S38-C56 VanDerWaalsContact OG-O 3.09Å; S38-T58 WeakPolarHBondContact OG-CB 3.41Å; S38-T58 PolarHBondContact OG-N 3.26Å; S38-T58 PolarHBondContact OG-OG1 3Å; S38-T262 PolarHBondContact OG-OG1 3.01Å
39	D	98.9	Very high	98.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-75.7	-28.4	175	-84.3	-17.8	0	0	0	114.5	D35 I37 V41 L42 D43 S283 G284 R292 Q372 A375	D35-D39 PolarHBondContact O-N 2.76Å; I37-D39 VanDerWaalsContact C-N 3.28Å; I37-D39 PolarHBondContact O-N 2.71Å; D39-V41 VanDerWaalsContact C-N 3.31Å; D39-L42 PolarHBondContact O-N 2.89Å; D39-D43 WeakPolarHBondContact O-CB 3.5Å; D39-D43 PolarHBondContact O-N 3.14Å; D39-S283 WeakPolarHBondContact OD1-CA 3.48Å; D39-G284 PolarHBondContact OD1-N 2.88Å; D39-R292 IonicContact OD1-CZ 2.78Å; D39-R292 VanDerWaalsContact OD1-CZ 3.25Å; D39-R292 IonicContact OD1-NH1 2.73Å; D39-R292 PolarHBondContact OD1-NH1 3.28Å; D39-R292 IonicContact OD1-NH2 2.84Å; D39-R292 PolarHBondContact OD1-NH2 2.82Å; D39-R292 IonicContact OD2-CZ 2.73Å; D39-R292 IonicContact OD2-NH2 2.72Å; D39-R292 PolarHBondContact OD2-NH2 2.86Å; D39-Q372 HydrophobicContact CB-CB 4.49Å; D39-A375 HydrophobicContact CB-CB 4.28Å
40	A	98.9	Very high	98.9	Very high	6 Å²	6	17.3 Å²	17.3	5%	0.05	9%	0.088	C	C	.	.	H	α-helix	trans	-65.2	-37.5	171.2	0	0	0	0	0	111.5	Q36 I37 A44 V82 T86 Q372	Q36-A40 VanDerWaalsContact O-CB 3.26Å; Q36-A40 WeakPolarHBondContact O-CB 3.29Å; Q36-A40 PolarHBondContact O-N 2.98Å; I37-A40 WeakPolarHBondContact O-CB 3.27Å; I37-A40 PolarHBondContact O-N 2.98Å; I37-A40 VanDerWaalsContact O-N 3.08Å; A40-A44 WeakPolarHBondContact O-CB 3.46Å; A40-A44 PolarHBondContact O-N 3.44Å; A40-V82 HydrophobicContact CB-CG1 3.8Å; A40-T86 HydrophobicContact CB-CG2 4.47Å; A40-T86 VanDerWaalsContact CB-OG1 3.26Å; A40-T86 WeakPolarHBondContact CB-OG1 3.44Å; A40-Q372 HydrophobicContact CB-CG 4.26Å
41	V	98.9	Very high	98.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.3	-48.8	172.3	171.6	0	0	0	0	110.2	I37 S38 D39 D43 A44 H45 C56 L67 Y79 V82	I37-V41 WeakPolarHBondContact O-CG2 3.22Å; I37-V41 PolarHBondContact O-N 3.45Å; S38-V41 PolarHBondContact O-N 3.19Å; D39-V41 VanDerWaalsContact C-N 3.31Å; V41-D43 PolarHBondContact O-N 3.24Å; V41-A44 WeakPolarHBondContact O-CB 3.45Å; V41-A44 PolarHBondContact O-N 3.28Å; V41-A44 VanDerWaalsContact O-N 3.14Å; V41-H45 PolarHBondContact O-CD2 2.68Å; V41-H45 VanDerWaalsContact O-CD2 3.28Å; V41-H45 PolarHBondContact O-N 2.9Å; V41-C56 HydrophobicContact CG1-CB 4.17Å; V41-L67 HydrophobicContact CG2-CD1 3.99Å; V41-L67 HydrophobicContact CG2-CD2 4.5Å; V41-Y79 HydrophobicContact CG1-CD1 4.19Å; V41-Y79 HydrophobicContact CG1-CE1 3.86Å; V41-Y79 HydrophobicContact CG2-CD1 4.34Å; V41-V82 HydrophobicContact CG2-CG1 4.06Å
42	L	98.9	Very high	98.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.2	-50.7	174.3	173.1	63.5	0	0	0	112	S38 D39 A44 H45 L46 V54 K285 D286 Y371	S38-L42 PolarHBondContact O-N 3.4Å; D39-L42 PolarHBondContact O-N 2.89Å; L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 3.01Å; L42-H45 PolarHBondContact O-N 3.29Å; L42-L46 HydrophobicContact CD1-CD1 3.73Å; L42-L46 HydrophobicContact CD1-CG 3.9Å; L42-L46 HydrophobicContact CG-CD1 3.85Å; L42-L46 HydrophobicContact CG-CG 4.35Å; L42-L46 WeakPolarHBondContact O-CG 3.2Å; L42-L46 PolarHBondContact O-N 2.92Å; L42-V54 HydrophobicContact CB-CG1 4.32Å; L42-V54 HydrophobicContact CD1-CB 3.75Å; L42-V54 HydrophobicContact CD1-CG1 4.13Å; L42-V54 HydrophobicContact CD1-CG2 3.73Å; L42-K285 VanDerWaalsContact CD2-O 3.27Å; L42-K285 WeakPolarHBondContact CD2-O 3.38Å; L42-D286 HydrophobicContact CD1-CB 4.14Å; L42-Y371 HydrophobicContact CD2-CD1 4.1Å; L42-Y371 HydrophobicContact CD2-CD2 3.46Å; L42-Y371 VanDerWaalsContact CD2-CD2 3.46Å; L42-Y371 HydrophobicContact CD2-CE2 4.01Å; L42-Y371 HydrophobicContact CD2-CG 3.52Å; L42-Y371 HydrophobicContact CG-CD2 3.88Å; L42-Y371 HydrophobicContact CG-CE2 4.45Å; L42-Y371 HydrophobicContact CG-CG 4.34Å
43	D	98.9	Very high	98.9	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.037	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-36.6	178.8	-77.7	-16.3	0	0	0	111.8	D39 V41 L46 K47 P369 I370 Y371 Q372	D39-D43 WeakPolarHBondContact O-CB 3.5Å; D39-D43 PolarHBondContact O-N 3.14Å; V41-D43 PolarHBondContact O-N 3.24Å; D43-L46 PolarHBondContact O-N 2.89Å; D43-K47 WeakPolarHBondContact O-CB 3.44Å; D43-K47 WeakPolarHBondContact O-CD 3.45Å; D43-K47 WeakPolarHBondContact O-CG 3.23Å; D43-K47 PolarHBondContact O-N 2.99Å; D43-P369 HydrophobicContact CB-CB 3.95Å; D43-P369 VanDerWaalsContact CG-C 3.48Å; D43-P369 WeakPolarHBondContact O-CB 3.46Å; D43-P369 WeakPolarHBondContact OD1-CA 3.32Å; D43-I370 PolarHBondContact OD1-N 3.47Å; D43-I370 VanDerWaalsContact OD1-N 3.07Å; D43-Y371 WeakPolarHBondContact OD1-CB 3.36Å; D43-Y371 VanDerWaalsContact OD1-CD2 3.3Å; D43-Y371 WeakPolarHBondContact OD1-CD2 3.3Å; D43-Y371 PolarHBondContact OD1-N 3.13Å; D43-Y371 PolarHBondContact OD2-N 3.04Å; D43-Y371 VanDerWaalsContact OD2-N 3.15Å; D43-Q372 WeakPolarHBondContact OD2-CB 3.49Å; D43-Q372 PolarHBondContact OD2-N 3.03Å
44	A	98.9	Very high	98.9	Very high	13 Å²	13	20.9 Å²	20.9	11%	0.107	11%	0.106	C	C	.	.	H	α-helix	trans	-65.1	-38	176.9	0	0	0	0	0	112.5	A40 V41 L42 V77 V82	A40-A44 WeakPolarHBondContact O-CB 3.46Å; A40-A44 PolarHBondContact O-N 3.44Å; V41-A44 WeakPolarHBondContact O-CB 3.45Å; V41-A44 PolarHBondContact O-N 3.28Å; V41-A44 VanDerWaalsContact O-N 3.14Å; L42-A44 VanDerWaalsContact C-N 3.27Å; L42-A44 PolarHBondContact O-N 3.01Å; A44-V77 HydrophobicContact CB-CG1 3.81Å; A44-V77 HydrophobicContact CB-CG2 4.17Å; A44-V82 HydrophobicContact CB-CG1 4.49Å; A44-V82 HydrophobicContact CB-CG2 3.83Å
45	H	98.9	Very high	98.9	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-68.3	-51.6	172.3	-81.3	-79.1	0	0	0	111.6	V41 L42 K47 Q48 D49 A52 V54 V71 S73 Y79	V41-H45 PolarHBondContact O-CD2 2.68Å; V41-H45 VanDerWaalsContact O-CD2 3.28Å; V41-H45 PolarHBondContact O-N 2.9Å; L42-H45 PolarHBondContact O-N 3.29Å; H45-K47 PolarHBondContact O-N 3.04Å; H45-Q48 PolarHBondContact O-N 3.47Å; H45-D49 PolarHBondContact O-N 3.29Å; H45-A52 HydrophobicContact CB-CB 3.82Å; H45-V54 HydrophobicContact CB-CG2 4.14Å; H45-V71 VanDerWaalsContact CE1-CG1 3.46Å; H45-V71 WeakPolarHBondContact CE1-CG1 3.39Å; H45-S73 WeakPolarHBondContact ND1-CB 3.5Å; H45-S73 PolarHBondContact ND1-OG 2.92Å; H45-Y79 AromaticContact NE2-CE1 3.57Å; H45-Y79 AromaticContact NE2-CZ 3.73Å; H45-Y79 PolarHBondContact NE2-OH 2.59Å; H45-Y79 VanDerWaalsContact NE2-OH 3.15Å
46	L	98.9	Very high	98.9	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-27.2	-176.3	-69.2	178	0	0	0	113.9	L42 D43 Q48 D49 A52 P369 Y371	L42-L46 HydrophobicContact CD1-CD1 3.73Å; L42-L46 HydrophobicContact CD1-CG 3.9Å; L42-L46 HydrophobicContact CG-CD1 3.85Å; L42-L46 HydrophobicContact CG-CG 4.35Å; L42-L46 WeakPolarHBondContact O-CG 3.2Å; L42-L46 PolarHBondContact O-N 2.92Å; D43-L46 PolarHBondContact O-N 2.89Å; L46-Q48 PolarHBondContact O-N 3.02Å; L46-D49 WeakPolarHBondContact CA-O 3.2Å; L46-A52 HydrophobicContact CD2-CB 4.38Å; L46-P369 HydrophobicContact CB-CB 4.19Å; L46-Y371 HydrophobicContact CD1-CD2 3.71Å; L46-Y371 HydrophobicContact CD1-CE2 3.33Å
47	K	98.8	Very high	98.9	Very high	143 Å²	143	24.9 Å²	24.9	62%	0.622	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.2	172.8	-80.6	166.6	-172	167.5	0	113.5	D43 H45 P369	D43-K47 WeakPolarHBondContact O-CB 3.44Å; D43-K47 WeakPolarHBondContact O-CD 3.45Å; D43-K47 WeakPolarHBondContact O-CG 3.23Å; D43-K47 PolarHBondContact O-N 2.99Å; H45-K47 PolarHBondContact O-N 3.04Å; K47-P369 HydrophobicContact CD-CB 4.45Å; K47-P369 HydrophobicContact CG-CB 3.69Å; K47-P369 HydrophobicContact CG-CG 3.61Å
48	Q	98.8	Very high	98.9	Very high	108 Å²	108	24.9 Å²	24.9	51%	0.505	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-29.7	-177.6	-61.4	179.4	53.7	0	0	112	H45 L46 A75 N76	H45-Q48 PolarHBondContact O-N 3.47Å; L46-Q48 PolarHBondContact O-N 3.02Å; Q48-A75 HydrophobicContact CB-CB 3.66Å; Q48-A75 HydrophobicContact CG-CB 4.33Å; Q48-N76 PolarHBondContact NE2-O 3.24Å; Q48-N76 PolarHBondContact OE1-O 3.4Å
49	D	98.8	Very high	98.9	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.14	C	C	.	.			trans	-140.4	90	-174.5	179.5	16.9	0	0	0	110	H45 L46 D51 A52 S73 R74 A75	H45-D49 PolarHBondContact O-N 3.29Å; L46-D49 WeakPolarHBondContact CA-O 3.2Å; D49-D51 PolarHBondContact O-N 3.13Å; D49-D51 PolarHBondContact OD1-N 3.17Å; D49-A52 HydrophobicContact CB-CB 4.26Å; D49-A52 VanDerWaalsContact O-CB 3.26Å; D49-A52 WeakPolarHBondContact O-CB 3.24Å; D49-A52 PolarHBondContact O-N 3.07Å; D49-S73 WeakPolarHBondContact CB-OG 3.09Å; D49-S73 VanDerWaalsContact OD2-CA 3.25Å; D49-S73 WeakPolarHBondContact OD2-CA 3.39Å; D49-S73 PolarHBondContact OD2-OG 2.87Å; D49-R74 HydrophobicContact CB-CB 4.24Å; D49-R74 IonicContact OD1-CZ 3.55Å; D49-R74 VanDerWaalsContact OD1-CZ 3.24Å; D49-R74 IonicContact OD1-NE 2.73Å; D49-R74 PolarHBondContact OD1-NE 3.46Å; D49-R74 IonicContact OD1-NH2 3.14Å; D49-R74 PolarHBondContact OD1-NH2 3.34Å; D49-R74 PolarHBondContact OD2-N 2.7Å; D49-R74 IonicContact OD2-NE 2.7Å; D49-A75 HydrophobicContact CB-CB 4.27Å
50	P	98.8	Very high	98.9	Very high	60 Å²	60	26.9 Å²	26.9	39%	0.39	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.3	179.5	-26.6	36.2	0	0	0	114.5	K367	P50-K367 HydrophobicContact CB-CB 4.11Å; P50-K367 HydrophobicContact CB-CD 4.15Å; P50-K367 WeakPolarHBondContact O-CD 3.45Å; P50-K367 WeakPolarHBondContact O-CG 3.37Å
51	D	98.6	Very high	98.8	Very high	64 Å²	64	29.7 Å²	29.7	34%	0.342	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	8.6	-179.3	-54.6	-52.5	0	0	0	112.9	D49 K53 R74 K367	D49-D51 PolarHBondContact O-N 3.13Å; D49-D51 PolarHBondContact OD1-N 3.17Å; D51-K53 PolarHBondContact O-N 3.06Å; D51-K53 PolarHBondContact O-NZ 2.65Å; D51-R74 IonicContact OD2-NH2 2.76Å; D51-R74 PolarHBondContact OD2-NH2 2.72Å; D51-K367 IonicContact OD1-NZ 2.8Å; D51-K367 PolarHBondContact OD1-NZ 3.39Å
52	A	98.8	Very high	98.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	17%	0.174	C	C	.	.			trans	-52.2	134.3	179.5	0	0	0	0	0	111.4	H45 L46 D49 V54 S73 D286	H45-A52 HydrophobicContact CB-CB 3.82Å; L46-A52 HydrophobicContact CD2-CB 4.38Å; D49-A52 HydrophobicContact CB-CB 4.26Å; D49-A52 VanDerWaalsContact O-CB 3.26Å; D49-A52 WeakPolarHBondContact O-CB 3.24Å; D49-A52 PolarHBondContact O-N 3.07Å; A52-V54 HydrophobicContact CB-CG2 3.95Å; A52-S73 WeakPolarHBondContact CB-OG 3.4Å; A52-D286 WeakPolarHBondContact O-CB 3.42Å
53	K	98.8	Very high	98.8	Very high	17 Å²	17	35.1 Å²	35.1	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.9	171.5	-58.9	-66.3	174	-79.8	0	107.3	D51 V71 T72 H122 D286 T288	D51-K53 PolarHBondContact O-N 3.06Å; D51-K53 PolarHBondContact O-NZ 2.65Å; K53-V71 WeakPolarHBondContact O-CA 3.33Å; K53-T72 PolarHBondContact N-O 2.91Å; K53-T72 PolarHBondContact O-N 3.36Å; K53-H122 VanDerWaalsContact CE-CD2 3.46Å; K53-H122 WeakPolarHBondContact CE-CD2 3.46Å; K53-D286 WeakPolarHBondContact CA-OD1 3.49Å; K53-T288 HydrophobicContact CD-CG2 4.3Å
54	V	98.9	Very high	98.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.1	-172.3	-172.4	0	0	0	0	109.1	L42 H45 A52 C56 V71 G284 K285 D286	L42-V54 HydrophobicContact CB-CG1 4.32Å; L42-V54 HydrophobicContact CD1-CB 3.75Å; L42-V54 HydrophobicContact CD1-CG1 4.13Å; L42-V54 HydrophobicContact CD1-CG2 3.73Å; H45-V54 HydrophobicContact CB-CG2 4.14Å; A52-V54 HydrophobicContact CB-CG2 3.95Å; V54-C56 HydrophobicContact CG1-CB 3.94Å; V54-V71 HydrophobicContact CG1-CG2 4.1Å; V54-V71 HydrophobicContact CG2-CG1 4.31Å; V54-G284 CarbonylContact C-O 3.57Å; V54-G284 WeakPolarHBondContact CG1-O 3.43Å; V54-K285 WeakPolarHBondContact O-CA 3.43Å; V54-D286 HydrophobicContact CB-CB 4.48Å; V54-D286 PolarHBondContact N-OD1 2.74Å; V54-D286 PolarHBondContact O-N 3.08Å
55	A	98.8	Very high	98.8	Very high	16 Å²	16	36.8 Å²	36.8	13%	0.132	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	75.9	166.2	0	0	0	0	0	106.9	G69 E70 G284	A55-G69 CarbonylContact O-C 3.55Å; A55-G69 WeakPolarHBondContact O-CA 3.43Å; A55-E70 PolarHBondContact N-O 3Å; A55-E70 PolarHBondContact O-N 3.23Å; A55-G284 CarbonylContact C-O 3.44Å; A55-G284 VanDerWaalsContact CA-O 3.32Å; A55-G284 WeakPolarHBondContact CA-O 3.29Å
56	C	98.8	Very high	98.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.6	-175.8	-177	0	0	0	0	110.1	S38 V41 V54 G284	S38-C56 WeakPolarHBondContact CB-O 3.37Å; S38-C56 PolarHBondContact OG-O 3.32Å; S38-C56 VanDerWaalsContact OG-O 3.09Å; V41-C56 HydrophobicContact CG1-CB 4.17Å; V54-C56 HydrophobicContact CG1-CB 3.94Å; C56-G284 PolarHBondContact N-O 3.32Å; C56-G284 WeakPolarHBondContact O-CA 3.41Å
57	E	98.9	Very high	98.8	Very high	72 Å²	72	38.5 Å²	38.5	34%	0.336	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141.1	170.6	-55.4	-62.5	170.1	0	0	109.9	L67 A68 T262	E57-L67 CarbonylContact O-C 3.54Å; E57-L67 WeakPolarHBondContact O-CA 3.38Å; E57-A68 WeakPolarHBondContact CA-O 3.36Å; E57-A68 WeakPolarHBondContact CB-O 3.37Å; E57-A68 PolarHBondContact N-O 2.96Å; E57-A68 PolarHBondContact O-N 2.95Å; E57-T262 VanDerWaalsContact OE2-CB 3.26Å; E57-T262 WeakPolarHBondContact OE2-CB 3.4Å; E57-T262 WeakPolarHBondContact OE2-CG2 3.33Å
58	T	98.9	Very high	98.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.2	173.7	-56.3	0	0	0	0	110.5	C34 I37 S38 I65 L66 L67 L261 T262	C34-T58 HydrophobicContact CB-CG2 4.03Å; C34-T58 VanDerWaalsContact CB-O 3.32Å; C34-T58 WeakPolarHBondContact CB-O 3.14Å; C34-T58 PolarHBondContact SG-O 3.35Å; C34-T58 VanDerWaalsContact SG-O 3.33Å; I37-T58 HydrophobicContact CB-CG2 4.06Å; I37-T58 HydrophobicContact CD1-CG2 4.19Å; I37-T58 HydrophobicContact CG2-CG2 3.88Å; I37-T58 WeakPolarHBondContact CG2-OG1 3.47Å; S38-T58 WeakPolarHBondContact OG-CB 3.41Å; S38-T58 PolarHBondContact OG-N 3.26Å; S38-T58 PolarHBondContact OG-OG1 3Å; T58-I65 HydrophobicContact CG2-CG2 3.7Å; T58-L66 CarbonylContact C-O 3.48Å; T58-L66 WeakPolarHBondContact CA-O 3.33Å; T58-L67 HydrophobicContact CG2-CD2 4.11Å; T58-L67 WeakPolarHBondContact OG1-CD2 3.27Å; T58-L261 WeakPolarHBondContact O-CA 3.49Å; T58-T262 WeakPolarHBondContact CA-OG1 3.38Å; T58-T262 WeakPolarHBondContact CB-OG1 3.44Å; T58-T262 PolarHBondContact N-OG1 3.12Å; T58-T262 PolarHBondContact O-N 3.37Å; T58-T262 PolarHBondContact O-OG1 3.37Å; T58-T262 VanDerWaalsContact O-OG1 3.14Å
59	V	98.9	Very high	98.8	Very high	41 Å²	41	28.7 Å²	28.7	25%	0.248	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.8	170.2	-178.6	0	0	0	0	109.6	I65 L66 G260 L261	V59-I65 CarbonylContact O-C 3.57Å; V59-I65 WeakPolarHBondContact O-CA 3.42Å; V59-L66 HydrophobicContact CB-CB 4.31Å; V59-L66 PolarHBondContact N-O 3.13Å; V59-L66 PolarHBondContact O-N 3.4Å; V59-G260 CarbonylContact C-O 3.57Å; V59-G260 VanDerWaalsContact CA-O 3.32Å; V59-G260 WeakPolarHBondContact CA-O 3.32Å; V59-L261 HydrophobicContact CG1-CG 4.43Å; V59-L261 HydrophobicContact CG2-CD2 4.28Å; V59-L261 HydrophobicContact CG2-CG 4.24Å
60	A	98.9	Very high	98.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.7	178.5	0	0	0	0	0	111.3	C34 M64 I65 P255 A259 G260	C34-A60 VanDerWaalsContact SG-CB 3.54Å; C34-A60 PolarHBondContact SG-N 3.4Å; A60-M64 WeakPolarHBondContact CA-O 3.35Å; A60-I65 HydrophobicContact CB-CD1 3.63Å; A60-P255 HydrophobicContact CB-CB 4.15Å; A60-P255 HydrophobicContact CB-CG 3.99Å; A60-A259 WeakPolarHBondContact O-CA 3.25Å; A60-G260 PolarHBondContact N-O 3.41Å; A60-G260 PolarHBondContact O-N 3.44Å
61	K	98.8	Very high	98.8	Very high	66 Å²	66	30.6 Å²	30.6	29%	0.287	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-179.3	166.7	-163.7	58.7	-139.4	160.4	0	109.4	G63 M64 F99 P255 Q256 D258 A259	K61-G63 PolarHBondContact O-N 3.23Å; K61-M64 HydrophobicContact CB-CE 4.37Å; K61-M64 PolarHBondContact N-O 3.12Å; K61-M64 PolarHBondContact O-N 3.11Å; K61-M64 VanDerWaalsContact O-O 3.06Å; K61-F99 WeakPolarHBondContact O-CE2 3.48Å; K61-P255 CarbonylContact C-O 3.34Å; K61-P255 WeakPolarHBondContact CD-O 3.34Å; K61-P255 WeakPolarHBondContact CE-O 3.31Å; K61-P255 PolarHBondContact NZ-O 2.83Å; K61-P255 WeakPolarHBondContact O-CB 3.39Å; K61-Q256 PolarHBondContact NZ-O 2.81Å; K61-D258 PolarHBondContact NZ-O 3.47Å; K61-A259 HydrophobicContact CD-CB 3.88Å
62	T	98.6	Very high	98.8	Very high	80 Å²	80	30.1 Å²	30.1	49%	0.491	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.1	111.5	-178.7	-47.1	0	0	0	0	112.2	M64 P255 Q256	T62-M64 PolarHBondContact O-N 3.37Å; T62-P255 PolarHBondContact N-O 3.21Å; T62-P255 VanDerWaalsContact N-O 3.16Å; T62-Q256 HydrophobicContact CG2-CG 4.23Å
63	G	97.9	Very high	98.8	Very high	34 Å²	34	31.8 Å²	31.8	35%	0.351	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	12.1	178.2	0	0	0	0	0	116.1	K61 N105	K61-G63 PolarHBondContact O-N 3.23Å; G63-N105 WeakPolarHBondContact O-CB 3.48Å; G63-N105 PolarHBondContact O-N 3.36Å
64	M	98.9	Very high	98.8	Very high	55 Å²	55	39.7 Å²	39.7	27%	0.271	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.7	-174.6	-175.6	-174.8	76.1	0	0	112.4	A60 K61 T62 N105 L107	A60-M64 WeakPolarHBondContact CA-O 3.35Å; K61-M64 HydrophobicContact CB-CE 4.37Å; K61-M64 PolarHBondContact N-O 3.12Å; K61-M64 PolarHBondContact O-N 3.11Å; K61-M64 VanDerWaalsContact O-O 3.06Å; T62-M64 PolarHBondContact O-N 3.37Å; M64-N105 WeakPolarHBondContact CA-O 3.42Å; M64-L107 HydrophobicContact CG-CD1 4.28Å; M64-L107 HydrophobicContact SD-CD1 3.98Å
65	I	98.9	Very high	98.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.9	155.8	-60.6	-56.9	0	0	0	108.4	I33 I37 T58 V59 A60 L67 V83 I87 F99 N105 V106 L107	I33-I65 HydrophobicContact CG2-CD1 4.45Å; I37-I65 HydrophobicContact CD1-CD1 3.87Å; I37-I65 HydrophobicContact CD1-CG1 4.13Å; I37-I65 HydrophobicContact CD1-CG2 4.13Å; T58-I65 HydrophobicContact CG2-CG2 3.7Å; V59-I65 CarbonylContact O-C 3.57Å; V59-I65 WeakPolarHBondContact O-CA 3.42Å; A60-I65 HydrophobicContact CB-CD1 3.63Å; I65-L67 HydrophobicContact CG2-CD2 4.28Å; I65-V83 HydrophobicContact CB-CG1 4Å; I65-V83 HydrophobicContact CG1-CG1 3.96Å; I65-V83 HydrophobicContact CG2-CG1 3.81Å; I65-V83 HydrophobicContact CG2-CG2 4.44Å; I65-I87 HydrophobicContact CG1-CD1 3.93Å; I65-F99 HydrophobicContact CD1-CE1 4.3Å; I65-F99 HydrophobicContact CD1-CZ 3.85Å; I65-F99 HydrophobicContact CG1-CE1 4.43Å; I65-F99 HydrophobicContact CG1-CZ 4.02Å; I65-N105 PolarHBondContact N-O 3.08Å; I65-V106 CarbonylContact O-C 3.59Å; I65-V106 WeakPolarHBondContact O-CA 3.45Å; I65-L107 PolarHBondContact O-N 2.87Å
66	L	98.9	Very high	98.8	Very high	47 Å²	47	46.4 Å²	46.4	25%	0.246	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.3	169.9	169	66.1	0	0	0	108.7	T58 V59 A68 L107 A109	T58-L66 CarbonylContact C-O 3.48Å; T58-L66 WeakPolarHBondContact CA-O 3.33Å; V59-L66 HydrophobicContact CB-CB 4.31Å; V59-L66 PolarHBondContact N-O 3.13Å; V59-L66 PolarHBondContact O-N 3.4Å; L66-A68 HydrophobicContact CG-CB 4.46Å; L66-L107 WeakPolarHBondContact CA-O 3.26Å; L66-L107 HydrophobicContact CD1-CB 3.77Å; L66-A109 HydrophobicContact CD1-CB 4.22Å
67	L	98.9	Very high	98.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129	163.7	-54.9	-176.3	0	0	0	108.8	I37 V41 E57 T58 I65 Y79 V83 L107 V108 A109 L110	I37-L67 HydrophobicContact CG2-CD2 3.64Å; V41-L67 HydrophobicContact CG2-CD1 3.99Å; V41-L67 HydrophobicContact CG2-CD2 4.5Å; E57-L67 CarbonylContact O-C 3.54Å; E57-L67 WeakPolarHBondContact O-CA 3.38Å; T58-L67 HydrophobicContact CG2-CD2 4.11Å; T58-L67 WeakPolarHBondContact OG1-CD2 3.27Å; I65-L67 HydrophobicContact CG2-CD2 4.28Å; L67-Y79 HydrophobicContact CD1-CD1 3.95Å; L67-Y79 HydrophobicContact CD1-CG 4.22Å; L67-V83 HydrophobicContact CD1-CG2 3.89Å; L67-V83 HydrophobicContact CD2-CG2 4.11Å; L67-V83 HydrophobicContact CG-CG2 4.22Å; L67-L107 PolarHBondContact N-O 2.96Å; L67-V108 HydrophobicContact CD1-CG2 4.35Å; L67-A109 PolarHBondContact O-N 2.95Å; L67-L110 HydrophobicContact CB-CD1 4.32Å; L67-L110 HydrophobicContact CB-CD2 4.43Å; L67-L110 HydrophobicContact CB-CG 4.28Å; L67-L110 HydrophobicContact CD1-CD1 4.43Å
68	A	98.9	Very high	98.8	Very high	30 Å²	30	48.3 Å²	48.3	25%	0.248	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.6	178.5	0	0	0	0	0	110.8	E57 L66 A109	E57-A68 WeakPolarHBondContact CA-O 3.36Å; E57-A68 WeakPolarHBondContact CB-O 3.37Å; E57-A68 PolarHBondContact N-O 2.96Å; E57-A68 PolarHBondContact O-N 2.95Å; L66-A68 HydrophobicContact CG-CB 4.46Å; A68-A109 WeakPolarHBondContact CA-O 3.48Å
69	G	98.7	Very high	98.8	Very high	14 Å²	14	50.8 Å²	50.8	14%	0.144	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.7	-151.1	177.4	0	0	0	0	0	112.7	A55 A109 L110 E111	A55-G69 CarbonylContact O-C 3.55Å; A55-G69 WeakPolarHBondContact O-CA 3.43Å; G69-A109 PolarHBondContact N-O 3.32Å; G69-L110 WeakPolarHBondContact O-CA 3.5Å; G69-E111 PolarHBondContact O-N 3.44Å
70	E	98.8	Very high	98.7	Very high	89 Å²	89	52.3 Å²	52.3	42%	0.416	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.4	-166	-51.9	75.8	-145.2	0	0	112.8	A55 E111	A55-E70 PolarHBondContact N-O 3Å; A55-E70 PolarHBondContact O-N 3.23Å; E70-E111 CarbonylContact C-O 3.59Å; E70-E111 WeakPolarHBondContact CA-O 3.2Å
71	V	98.8	Very high	98.7	Very high	15 Å²	15	57.9 Å²	57.9	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	117.3	174.2	-176.1	0	0	0	0	110.6	H45 K53 V54 L110 E111	H45-V71 VanDerWaalsContact CE1-CG1 3.46Å; H45-V71 WeakPolarHBondContact CE1-CG1 3.39Å; K53-V71 WeakPolarHBondContact O-CA 3.33Å; V54-V71 HydrophobicContact CG1-CG2 4.1Å; V54-V71 HydrophobicContact CG2-CG1 4.31Å; V71-L110 HydrophobicContact CG2-CD1 4.28Å; V71-L110 HydrophobicContact CG2-CD2 4.3Å; V71-E111 PolarHBondContact N-O 3.26Å
72	T	98.8	Very high	98.8	Very high	54 Å²	54	56 Å²	56	33%	0.331	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	108.8	167	-61.2	0	0	0	0	108.3	K53 Q113	K53-T72 PolarHBondContact N-O 2.91Å; K53-T72 PolarHBondContact O-N 3.36Å; T72-Q113 WeakPolarHBondContact OG1-CB 3.46Å; T72-Q113 PolarHBondContact OG1-N 3.46Å
73	S	98.8	Very high	98.8	Very high	37 Å²	37	52.2 Å²	52.2	26%	0.259	27%	0.274	S	S	.	.			trans	-152.6	153.3	-174.9	-178.4	0	0	0	0	111.9	H45 D49 A52 A75	H45-S73 WeakPolarHBondContact ND1-CB 3.5Å; H45-S73 PolarHBondContact ND1-OG 2.92Å; D49-S73 WeakPolarHBondContact CB-OG 3.09Å; D49-S73 VanDerWaalsContact OD2-CA 3.25Å; D49-S73 WeakPolarHBondContact OD2-CA 3.39Å; D49-S73 PolarHBondContact OD2-OG 2.87Å; A52-S73 WeakPolarHBondContact CB-OG 3.4Å; S73-A75 VanDerWaalsContact C-N 3.31Å; S73-A75 WeakPolarHBondContact OG-CB 3.44Å; S73-A75 PolarHBondContact OG-N 2.84Å; S73-A75 VanDerWaalsContact OG-N 3.1Å
74	R	98.7	Very high	98.8	Very high	182 Å²	182	53.1 Å²	53.1	69%	0.687	27%	0.267	S	S	*	.	S	Bend	trans	-81	-10.6	170.6	-60.3	172.9	-73.2	-167.1	-4.4	113	D49 D51	D49-R74 HydrophobicContact CB-CB 4.24Å; D49-R74 IonicContact OD1-CZ 3.55Å; D49-R74 VanDerWaalsContact OD1-CZ 3.24Å; D49-R74 IonicContact OD1-NE 2.73Å; D49-R74 PolarHBondContact OD1-NE 3.46Å; D49-R74 IonicContact OD1-NH2 3.14Å; D49-R74 PolarHBondContact OD1-NH2 3.34Å; D49-R74 PolarHBondContact OD2-N 2.7Å; D49-R74 IonicContact OD2-NE 2.7Å; D51-R74 IonicContact OD2-NH2 2.76Å; D51-R74 PolarHBondContact OD2-NH2 2.72Å
75	A	98.6	Very high	98.8	Very high	16 Å²	16	53.8 Å²	53.8	13%	0.132	27%	0.272	C	S	.	.			trans	-71.4	145.7	-176.7	0	0	0	0	0	111.9	Q48 D49 S73 V77	Q48-A75 HydrophobicContact CB-CB 3.66Å; Q48-A75 HydrophobicContact CG-CB 4.33Å; D49-A75 HydrophobicContact CB-CB 4.27Å; S73-A75 VanDerWaalsContact C-N 3.31Å; S73-A75 WeakPolarHBondContact OG-CB 3.44Å; S73-A75 PolarHBondContact OG-N 2.84Å; S73-A75 VanDerWaalsContact OG-N 3.1Å; A75-V77 HydrophobicContact CB-CG2 3.91Å
76	N	98.6	Very high	98.8	Very high	142 Å²	142	54 Å²	54	76%	0.759	27%	0.274	S	S	*	.			trans	-102.1	103.9	166.7	-173.8	19.7	0	0	0	108.7	Q48	Q48-N76 PolarHBondContact NE2-O 3.24Å; Q48-N76 PolarHBondContact OE1-O 3.4Å
77	V	98.8	Very high	98.8	Very high	17 Å²	17	51.8 Å²	51.8	10%	0.103	26%	0.262	C	S	.	.			trans	-111.4	125.5	-173.1	178.2	0	0	0	0	110.5	A44 A75 Y79 V82	A44-V77 HydrophobicContact CB-CG1 3.81Å; A44-V77 HydrophobicContact CB-CG2 4.17Å; A75-V77 HydrophobicContact CB-CG2 3.91Å; V77-Y79 HydrophobicContact CB-CE1 4.2Å; V77-Y79 HydrophobicContact CG1-CD1 3.91Å; V77-Y79 HydrophobicContact CG1-CE1 3.96Å; V77-Y79 HydrophobicContact CG1-CG 4.49Å; V77-Y79 PolarHBondContact O-N 2.83Å; V77-V82 HydrophobicContact CG1-CG2 3.99Å
78	D	98.8	Very high	98.8	Very high	95 Å²	95	57 Å²	57	51%	0.508	28%	0.284	S	S	.	.			trans	-81.3	91.8	167.4	-178.1	-13	0	0	0	109.6	Q80 K81 V82	D78-Q80 VanDerWaalsContact C-N 3.27Å; D78-Q80 PolarHBondContact O-N 2.95Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.4Å; D78-Q80 PolarHBondContact OD1-N 2.91Å; D78-Q80 VanDerWaalsContact OD1-N 3.11Å; D78-K81 HydrophobicContact CB-CB 4.05Å; D78-K81 VanDerWaalsContact CG-CB 3.49Å; D78-K81 PolarHBondContact O-N 3.2Å; D78-K81 PolarHBondContact OD1-N 2.87Å; D78-K81 WeakPolarHBondContact OD2-CB 3.45Å; D78-V82 WeakPolarHBondContact O-CG2 3.3Å; D78-V82 PolarHBondContact O-N 3.43Å
79	Y	98.8	Very high	98.8	Very high	53 Å²	53	62 Å²	62	21%	0.208	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-34.3	-179.9	-60.9	-67.7	0	0	0	113	V41 H45 L67 V77 K81 V82 V83 V108 L110	V41-Y79 HydrophobicContact CG1-CD1 4.19Å; V41-Y79 HydrophobicContact CG1-CE1 3.86Å; V41-Y79 HydrophobicContact CG2-CD1 4.34Å; H45-Y79 AromaticContact NE2-CE1 3.57Å; H45-Y79 AromaticContact NE2-CZ 3.73Å; H45-Y79 PolarHBondContact NE2-OH 2.59Å; H45-Y79 VanDerWaalsContact NE2-OH 3.15Å; L67-Y79 HydrophobicContact CD1-CD1 3.95Å; L67-Y79 HydrophobicContact CD1-CG 4.22Å; V77-Y79 HydrophobicContact CB-CE1 4.2Å; V77-Y79 HydrophobicContact CG1-CD1 3.91Å; V77-Y79 HydrophobicContact CG1-CE1 3.96Å; V77-Y79 HydrophobicContact CG1-CG 4.49Å; V77-Y79 PolarHBondContact O-N 2.83Å; Y79-K81 VanDerWaalsContact C-N 3.35Å; Y79-K81 PolarHBondContact O-N 2.99Å; Y79-V82 PolarHBondContact O-N 3.14Å; Y79-V83 WeakPolarHBondContact O-CB 3.03Å; Y79-V83 WeakPolarHBondContact O-CG2 3.41Å; Y79-V83 PolarHBondContact O-N 3.36Å; Y79-V108 HydrophobicContact CD2-CG1 4.18Å; Y79-L110 HydrophobicContact CD1-CD1 4.16Å; Y79-L110 HydrophobicContact CE1-CD1 3.63Å; Y79-L110 HydrophobicContact CE2-CD1 4.2Å
80	Q	98.8	Very high	98.8	Very high	73 Å²	73	61.3 Å²	61.3	34%	0.341	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-48.9	177.5	-70.2	-72.8	-30.2	0	0	109.8	D78 R84 V106	D78-Q80 VanDerWaalsContact C-N 3.27Å; D78-Q80 PolarHBondContact O-N 2.95Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.4Å; D78-Q80 PolarHBondContact OD1-N 2.91Å; D78-Q80 VanDerWaalsContact OD1-N 3.11Å; Q80-R84 VanDerWaalsContact O-CB 3.29Å; Q80-R84 WeakPolarHBondContact O-CB 3.41Å; Q80-R84 WeakPolarHBondContact O-CD 3.43Å; Q80-R84 WeakPolarHBondContact O-CG 3.4Å; Q80-R84 PolarHBondContact O-N 3.24Å; Q80-R84 VanDerWaalsContact O-N 3.08Å; Q80-V106 PolarHBondContact NE2-O 2.73Å
81	K	98.9	Very high	98.8	Very high	116 Å²	116	57.4 Å²	57.4	50%	0.504	27%	0.274	S	S	.	.	H	α-helix	trans	-64.1	-47.5	179	-173.2	-178.4	-174.7	-56	0	112	D78 Y79 V83 R84 D85	D78-K81 HydrophobicContact CB-CB 4.05Å; D78-K81 VanDerWaalsContact CG-CB 3.49Å; D78-K81 PolarHBondContact O-N 3.2Å; D78-K81 PolarHBondContact OD1-N 2.87Å; D78-K81 WeakPolarHBondContact OD2-CB 3.45Å; Y79-K81 VanDerWaalsContact C-N 3.35Å; Y79-K81 PolarHBondContact O-N 2.99Å; K81-V83 PolarHBondContact O-N 3.08Å; K81-R84 PolarHBondContact O-N 3.39Å; K81-D85 WeakPolarHBondContact CG-OD2 3.39Å; K81-D85 IonicContact NZ-OD2 3.4Å; K81-D85 PolarHBondContact NZ-OD2 2.85Å; K81-D85 WeakPolarHBondContact O-CB 3.33Å; K81-D85 VanDerWaalsContact O-CG 3.31Å; K81-D85 PolarHBondContact O-N 3.44Å
82	V	98.9	Very high	98.8	Very high	27 Å²	27	56.7 Å²	56.7	16%	0.164	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-46.5	-178.4	171.7	0	0	0	0	111.8	A40 V41 A44 V77 D78 Y79 T86	A40-V82 HydrophobicContact CB-CG1 3.8Å; V41-V82 HydrophobicContact CG2-CG1 4.06Å; A44-V82 HydrophobicContact CB-CG1 4.49Å; A44-V82 HydrophobicContact CB-CG2 3.83Å; V77-V82 HydrophobicContact CG1-CG2 3.99Å; D78-V82 WeakPolarHBondContact O-CG2 3.3Å; D78-V82 PolarHBondContact O-N 3.43Å; Y79-V82 PolarHBondContact O-N 3.14Å; V82-T86 WeakPolarHBondContact O-CB 3.29Å; V82-T86 PolarHBondContact O-N 2.96Å; V82-T86 VanDerWaalsContact O-N 3.17Å; V82-T86 PolarHBondContact O-OG1 2.71Å
83	V	98.9	Very high	98.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-50.9	177.4	168.9	0	0	0	0	110.6	I37 I65 L67 Y79 K81 T86 I87 V106	I37-V83 HydrophobicContact CD1-CG1 4.23Å; I37-V83 HydrophobicContact CG2-CG2 3.81Å; I65-V83 HydrophobicContact CB-CG1 4Å; I65-V83 HydrophobicContact CG1-CG1 3.96Å; I65-V83 HydrophobicContact CG2-CG1 3.81Å; I65-V83 HydrophobicContact CG2-CG2 4.44Å; L67-V83 HydrophobicContact CD1-CG2 3.89Å; L67-V83 HydrophobicContact CD2-CG2 4.11Å; L67-V83 HydrophobicContact CG-CG2 4.22Å; Y79-V83 WeakPolarHBondContact O-CB 3.03Å; Y79-V83 WeakPolarHBondContact O-CG2 3.41Å; Y79-V83 PolarHBondContact O-N 3.36Å; K81-V83 PolarHBondContact O-N 3.08Å; V83-T86 WeakPolarHBondContact O-CB 3.38Å; V83-T86 PolarHBondContact O-N 3.02Å; V83-I87 HydrophobicContact CG1-CD1 3.67Å; V83-I87 WeakPolarHBondContact O-CD1 3.36Å; V83-I87 WeakPolarHBondContact O-CG1 3.19Å; V83-I87 PolarHBondContact O-N 2.84Å; V83-V106 HydrophobicContact CB-CG1 4.09Å; V83-V106 HydrophobicContact CB-CG2 4.34Å; V83-V106 HydrophobicContact CG1-CG1 4.02Å; V83-V106 HydrophobicContact CG1-CG2 3.69Å; V83-V106 HydrophobicContact CG2-CG1 3.98Å
84	R	98.9	Very high	98.8	Very high	54 Å²	54	58.5 Å²	58.5	20%	0.204	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-41.2	-175.7	-69.5	178.5	-168.8	-73.5	-4	112.6	Q80 K81 T86 I87 K88 Y101 C104 V106	Q80-R84 VanDerWaalsContact O-CB 3.29Å; Q80-R84 WeakPolarHBondContact O-CB 3.41Å; Q80-R84 WeakPolarHBondContact O-CD 3.43Å; Q80-R84 WeakPolarHBondContact O-CG 3.4Å; Q80-R84 PolarHBondContact O-N 3.24Å; Q80-R84 VanDerWaalsContact O-N 3.08Å; K81-R84 PolarHBondContact O-N 3.39Å; R84-T86 VanDerWaalsContact C-N 3.28Å; R84-T86 PolarHBondContact O-N 3.45Å; R84-I87 PolarHBondContact O-N 2.9Å; R84-K88 WeakPolarHBondContact O-CB 3.47Å; R84-K88 PolarHBondContact O-N 3.37Å; R84-Y101 HydrophobicContact CB-CD2 4.22Å; R84-Y101 WeakPolarHBondContact CD-O 3.34Å; R84-Y101 VanDerWaalsContact CG-O 3.28Å; R84-Y101 WeakPolarHBondContact CG-O 3.34Å; R84-Y101 PolarHBondContact NH1-O 2.71Å; R84-Y101 WeakPolarHBondContact O-CB 3.28Å; R84-C104 PolarHBondContact NH1-O 3.17Å; R84-C104 PolarHBondContact NH2-O 3.47Å; R84-V106 HydrophobicContact CG-CG2 4.46Å
85	D	98.9	Very high	98.8	Very high	69 Å²	69	54.4 Å²	54.4	37%	0.369	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-36.3	176	-75.6	-16.9	0	0	0	111.8	K81 K88 Y89	K81-D85 WeakPolarHBondContact CG-OD2 3.39Å; K81-D85 IonicContact NZ-OD2 3.4Å; K81-D85 PolarHBondContact NZ-OD2 2.85Å; K81-D85 WeakPolarHBondContact O-CB 3.33Å; K81-D85 VanDerWaalsContact O-CG 3.31Å; K81-D85 PolarHBondContact O-N 3.44Å; D85-K88 WeakPolarHBondContact O-CB 3.46Å; D85-K88 PolarHBondContact O-N 2.86Å; D85-Y89 WeakPolarHBondContact O-CB 3.47Å; D85-Y89 PolarHBondContact O-N 3.47Å
86	T	98.9	Very high	98.8	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-47.2	176.6	-57.8	0	0	0	0	111.4	Q36 I37 A40 V82 V83 R84 K88 Y89 I90 Q372	Q36-T86 HydrophobicContact CB-CG2 4.03Å; I37-T86 HydrophobicContact CG1-CG2 3.74Å; A40-T86 HydrophobicContact CB-CG2 4.47Å; A40-T86 VanDerWaalsContact CB-OG1 3.26Å; A40-T86 WeakPolarHBondContact CB-OG1 3.44Å; V82-T86 WeakPolarHBondContact O-CB 3.29Å; V82-T86 PolarHBondContact O-N 2.96Å; V82-T86 VanDerWaalsContact O-N 3.17Å; V82-T86 PolarHBondContact O-OG1 2.71Å; V83-T86 WeakPolarHBondContact O-CB 3.38Å; V83-T86 PolarHBondContact O-N 3.02Å; R84-T86 VanDerWaalsContact C-N 3.28Å; R84-T86 PolarHBondContact O-N 3.45Å; T86-K88 VanDerWaalsContact C-N 3.29Å; T86-K88 PolarHBondContact O-N 2.85Å; T86-Y89 PolarHBondContact O-N 3.06Å; T86-I90 HydrophobicContact CG2-CD1 4.14Å; T86-I90 WeakPolarHBondContact O-CG1 3.44Å; T86-I90 PolarHBondContact O-N 3.09Å; T86-Q372 PolarHBondContact OG1-NE2 3.1Å
87	I	98.9	Very high	98.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-40.4	176.1	-61.2	155.3	0	0	0	110.9	I37 I65 V83 R84 I90 G91 Y92 F99	I37-I87 HydrophobicContact CD1-CG1 4.09Å; I65-I87 HydrophobicContact CG1-CD1 3.93Å; V83-I87 HydrophobicContact CG1-CD1 3.67Å; V83-I87 WeakPolarHBondContact O-CD1 3.36Å; V83-I87 WeakPolarHBondContact O-CG1 3.19Å; V83-I87 PolarHBondContact O-N 2.84Å; R84-I87 PolarHBondContact O-N 2.9Å; I87-I90 PolarHBondContact O-N 3.05Å; I87-G91 PolarHBondContact O-N 3.4Å; I87-G91 VanDerWaalsContact O-N 3.08Å; I87-Y92 PolarHBondContact O-N 2.97Å; I87-F99 HydrophobicContact CD1-CE1 3.91Å; I87-F99 HydrophobicContact CG1-CE1 4.26Å; I87-F99 HydrophobicContact CG2-CD1 3.78Å; I87-F99 HydrophobicContact CG2-CE1 3.9Å
88	K	98.9	Very high	98.8	Very high	108 Å²	108	52.8 Å²	52.8	47%	0.47	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-46.4	175.3	-177.7	-179.3	-177.3	171.4	0	111.7	R84 D85 T86 I90 G91 Y101	R84-K88 WeakPolarHBondContact O-CB 3.47Å; R84-K88 PolarHBondContact O-N 3.37Å; D85-K88 WeakPolarHBondContact O-CB 3.46Å; D85-K88 PolarHBondContact O-N 2.86Å; T86-K88 VanDerWaalsContact C-N 3.29Å; T86-K88 PolarHBondContact O-N 2.85Å; K88-I90 VanDerWaalsContact C-N 3.32Å; K88-I90 PolarHBondContact O-N 3.02Å; K88-G91 WeakPolarHBondContact O-CA 3.48Å; K88-G91 PolarHBondContact O-N 3.32Å; K88-G91 VanDerWaalsContact O-N 3.15Å; K88-Y101 HydrophobicContact CB-CD1 3.69Å; K88-Y101 HydrophobicContact CB-CD2 4.01Å; K88-Y101 HydrophobicContact CB-CE1 3.95Å; K88-Y101 HydrophobicContact CB-CE2 4.23Å; K88-Y101 HydrophobicContact CB-CG 3.74Å; K88-Y101 HydrophobicContact CD-CD2 4.42Å; K88-Y101 HydrophobicContact CD-CE1 4Å; K88-Y101 HydrophobicContact CD-CE2 3.83Å; K88-Y101 HydrophobicContact CG-CD1 3.96Å; K88-Y101 HydrophobicContact CG-CE1 3.68Å; K88-Y101 HydrophobicContact CG-CE2 4.25Å; K88-Y101 HydrophobicContact CG-CG 4.38Å
89	Y	98.8	Very high	98.8	Very high	135 Å²	135	48.6 Å²	48.6	53%	0.529	25%	0.249	S	C	.	.	H	α-helix	trans	-60.9	-39.7	177.7	168.9	-96.2	0	0	0	112.6	E27 D85 T86 G91 R169	E27-Y89 WeakPolarHBondContact OE2-CE1 3.13Å; E27-Y89 PolarHBondContact OE2-OH 3.34Å; D85-Y89 WeakPolarHBondContact O-CB 3.47Å; D85-Y89 PolarHBondContact O-N 3.47Å; T86-Y89 PolarHBondContact O-N 3.06Å; Y89-G91 VanDerWaalsContact C-N 3.28Å; Y89-G91 PolarHBondContact O-N 3Å; Y89-R169 PolarHBondContact O-NH2 3.48Å
90	I	98.9	Very high	98.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-39.2	175.5	-69.3	164.4	0	0	0	110.4	E27 I33 Q36 T86 I87 K88 Y92 R168 P178	E27-I90 HydrophobicContact CB-CG1 4.4Å; E27-I90 HydrophobicContact CB-CG2 4.34Å; E27-I90 WeakPolarHBondContact O-CG2 3.4Å; I33-I90 HydrophobicContact CB-CD1 4.34Å; I33-I90 HydrophobicContact CG1-CD1 4.14Å; I33-I90 HydrophobicContact CG2-CD1 4.19Å; Q36-I90 HydrophobicContact CB-CD1 4.46Å; T86-I90 HydrophobicContact CG2-CD1 4.14Å; T86-I90 WeakPolarHBondContact O-CG1 3.44Å; T86-I90 PolarHBondContact O-N 3.09Å; I87-I90 PolarHBondContact O-N 3.05Å; K88-I90 VanDerWaalsContact C-N 3.32Å; K88-I90 PolarHBondContact O-N 3.02Å; I90-Y92 HydrophobicContact CG2-CD2 3.86Å; I90-Y92 HydrophobicContact CG2-CE2 4.13Å; I90-R168 PolarHBondContact O-NH1 3.09Å; I90-R168 VanDerWaalsContact O-NH1 3.12Å; I90-R168 PolarHBondContact O-NH2 2.82Å; I90-P178 HydrophobicContact CG2-CB 3.93Å
91	G	98.8	Very high	98.8	Very high	7 Å²	7	45.3 Å²	45.3	7%	0.072	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.1	18.6	173.3	0	0	0	0	0	115	I87 K88 Y89 D93 K97	I87-G91 PolarHBondContact O-N 3.4Å; I87-G91 VanDerWaalsContact O-N 3.08Å; K88-G91 WeakPolarHBondContact O-CA 3.48Å; K88-G91 PolarHBondContact O-N 3.32Å; K88-G91 VanDerWaalsContact O-N 3.15Å; Y89-G91 VanDerWaalsContact C-N 3.28Å; Y89-G91 PolarHBondContact O-N 3Å; G91-D93 PolarHBondContact O-N 3.3Å; G91-K97 WeakPolarHBondContact O-CD 3.34Å; G91-K97 PolarHBondContact O-NZ 2.67Å
92	Y	98.9	Very high	98.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.			trans	-87.7	92.7	168.3	-77.7	-64.1	0	0	0	109.9	G28 I33 I87 I90 K97 F99 Y101 P178 D179 Q208 G254	G28-Y92 WeakPolarHBondContact O-CE2 3.26Å; G28-Y92 PolarHBondContact O-OH 2.8Å; I33-Y92 HydrophobicContact CD1-CD2 3.96Å; I33-Y92 HydrophobicContact CD1-CE2 3.56Å; I33-Y92 HydrophobicContact CG1-CE2 4.42Å; I87-Y92 PolarHBondContact O-N 2.97Å; I90-Y92 HydrophobicContact CG2-CD2 3.86Å; I90-Y92 HydrophobicContact CG2-CE2 4.13Å; Y92-K97 HydrophobicContact CD1-CB 4.03Å; Y92-K97 HydrophobicContact CE1-CB 4.39Å; Y92-K97 WeakPolarHBondContact CE1-O 3.36Å; Y92-F99 CarbonylContact C-O 3.6Å; Y92-F99 WeakPolarHBondContact CB-O 3.18Å; Y92-F99 HydrophobicContact CD1-CB 3.66Å; Y92-F99 HydrophobicContact CE1-CB 4.23Å; Y92-F99 HydrophobicContact CG-CB 3.86Å; Y92-F99 HydrophobicContact CG-CD1 4.44Å; Y92-Y101 PolarHBondContact O-N 3.07Å; Y92-P178 HydrophobicContact CD1-CG 4.28Å; Y92-P178 HydrophobicContact CD2-CB 4.23Å; Y92-P178 HydrophobicContact CD2-CG 4.25Å; Y92-P178 HydrophobicContact CE1-CB 4.47Å; Y92-P178 HydrophobicContact CE1-CG 4.17Å; Y92-P178 HydrophobicContact CE2-CB 3.77Å; Y92-P178 HydrophobicContact CE2-CG 4.14Å; Y92-P178 HydrophobicContact CG-CG 4.31Å; Y92-D179 WeakPolarHBondContact OH-CB 3.4Å; Y92-D179 PolarHBondContact OH-N 3.28Å; Y92-Q208 PolarHBondContact OH-OE1 2.97Å; Y92-G254 WeakPolarHBondContact OH-CA 3.36Å; Y92-G254 PolarHBondContact OH-N 3Å
93	D	98.7	Very high	98.8	Very high	63 Å²	63	48.8 Å²	48.8	34%	0.337	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	11.8	-167.9	60.8	6.6	0	0	0	113.3	G91 K97 Y101 K102	G91-D93 PolarHBondContact O-N 3.3Å; D93-K97 VanDerWaalsContact CG-NZ 3.3Å; D93-K97 WeakPolarHBondContact OD1-CD 3.46Å; D93-K97 WeakPolarHBondContact OD1-CE 3.29Å; D93-K97 IonicContact OD1-NZ 3.1Å; D93-K97 PolarHBondContact OD1-NZ 2.88Å; D93-K97 IonicContact OD2-NZ 2.63Å; D93-K97 PolarHBondContact OD2-NZ 3.04Å; D93-Y101 HydrophobicContact CB-CD1 3.96Å; D93-Y101 HydrophobicContact CB-CE1 3.8Å; D93-K102 PolarHBondContact O-NZ 2.84Å
94	D	98.8	Very high	98.8	Very high	67 Å²	67	49 Å²	49	36%	0.358	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	146.2	178.6	-168.3	-97	0	0	0	111.3	S96 K97 F99	D94-S96 PolarHBondContact O-N 3.15Å; D94-S96 WeakPolarHBondContact OD1-CB 3.3Å; D94-S96 PolarHBondContact OD1-N 3.01Å; D94-S96 PolarHBondContact OD1-OG 2.88Å; D94-K97 WeakPolarHBondContact O-CB 3.21Å; D94-K97 PolarHBondContact O-N 3.03Å; D94-F99 VanDerWaalsContact O-O 3.07Å
95	S	98.3	Very high	98.8	Very high	96 Å²	96	50.3 Å²	50.3	67%	0.671	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-58.2	-28.4	177.2	46.3	0	0	0	0	113.4	K97 G98	S95-K97 PolarHBondContact O-N 3.4Å; S95-K97 VanDerWaalsContact O-N 3.16Å; S95-G98 PolarHBondContact O-N 2.75Å
96	S	98.4	Very high	98.8	Very high	89 Å²	89	47.3 Å²	47.3	62%	0.622	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-62.6	-17.8	174.5	61.4	0	0	0	0	113.7	D94	D94-S96 PolarHBondContact O-N 3.15Å; D94-S96 WeakPolarHBondContact OD1-CB 3.3Å; D94-S96 PolarHBondContact OD1-N 3.01Å; D94-S96 PolarHBondContact OD1-OG 2.88Å
97	K	98.7	Very high	98.7	Very high	37 Å²	37	50.6 Å²	50.6	16%	0.161	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-91.6	-2.2	175.1	-54.7	-174.1	173.6	168.3	0	112.9	G91 Y92 D93 D94 S95 F99 Q208	G91-K97 WeakPolarHBondContact O-CD 3.34Å; G91-K97 PolarHBondContact O-NZ 2.67Å; Y92-K97 HydrophobicContact CD1-CB 4.03Å; Y92-K97 HydrophobicContact CE1-CB 4.39Å; Y92-K97 WeakPolarHBondContact CE1-O 3.36Å; D93-K97 VanDerWaalsContact CG-NZ 3.3Å; D93-K97 WeakPolarHBondContact OD1-CD 3.46Å; D93-K97 WeakPolarHBondContact OD1-CE 3.29Å; D93-K97 IonicContact OD1-NZ 3.1Å; D93-K97 PolarHBondContact OD1-NZ 2.88Å; D93-K97 IonicContact OD2-NZ 2.63Å; D93-K97 PolarHBondContact OD2-NZ 3.04Å; D94-K97 WeakPolarHBondContact O-CB 3.21Å; D94-K97 PolarHBondContact O-N 3.03Å; S95-K97 PolarHBondContact O-N 3.4Å; S95-K97 VanDerWaalsContact O-N 3.16Å; K97-F99 VanDerWaalsContact C-N 3.31Å; K97-Q208 PolarHBondContact O-NE2 3.33Å
98	G	98.5	Very high	98.7	Very high	15 Å²	15	53.8 Å²	53.8	16%	0.155	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-5.7	-176.4	0	0	0	0	0	114.7	S95	S95-G98 PolarHBondContact O-N 2.75Å
99	F	98.8	Very high	98.7	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	144	178.4	-153.1	-98.9	0	0	0	111.4	K61 I65 I87 Y92 D94 K97 C104 P255	K61-F99 WeakPolarHBondContact O-CE2 3.48Å; I65-F99 HydrophobicContact CD1-CE1 4.3Å; I65-F99 HydrophobicContact CD1-CZ 3.85Å; I65-F99 HydrophobicContact CG1-CE1 4.43Å; I65-F99 HydrophobicContact CG1-CZ 4.02Å; I87-F99 HydrophobicContact CD1-CE1 3.91Å; I87-F99 HydrophobicContact CG1-CE1 4.26Å; I87-F99 HydrophobicContact CG2-CD1 3.78Å; I87-F99 HydrophobicContact CG2-CE1 3.9Å; Y92-F99 CarbonylContact C-O 3.6Å; Y92-F99 WeakPolarHBondContact CB-O 3.18Å; Y92-F99 HydrophobicContact CD1-CB 3.66Å; Y92-F99 HydrophobicContact CE1-CB 4.23Å; Y92-F99 HydrophobicContact CG-CB 3.86Å; Y92-F99 HydrophobicContact CG-CD1 4.44Å; D94-F99 VanDerWaalsContact O-O 3.07Å; K97-F99 VanDerWaalsContact C-N 3.31Å; F99-C104 HydrophobicContact CE1-CB 4.04Å; F99-C104 HydrophobicContact CE2-CB 4.43Å; F99-C104 HydrophobicContact CZ-CB 3.85Å; F99-P255 HydrophobicContact CD2-CB 3.81Å; F99-P255 HydrophobicContact CD2-CG 3.76Å; F99-P255 HydrophobicContact CE2-CB 3.81Å; F99-P255 HydrophobicContact CE2-CG 3.85Å; F99-P255 HydrophobicContact CG-CG 4.14Å; F99-P255 HydrophobicContact CZ-CG 4.3Å
100	D	98.8	Very high	98.7	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	121.7	-176.1	172.6	24.3	0	0	0	111.9	K102 T103 C104	D100-K102 VanDerWaalsContact CG-NZ 3.27Å; D100-K102 PolarHBondContact O-N 3.46Å; D100-K102 VanDerWaalsContact O-N 3.17Å; D100-K102 PolarHBondContact OD1-N 3.06Å; D100-K102 IonicContact OD1-NZ 2.77Å; D100-K102 PolarHBondContact OD1-NZ 3.11Å; D100-K102 IonicContact OD2-NZ 2.68Å; D100-K102 PolarHBondContact OD2-NZ 3.3Å; D100-T103 WeakPolarHBondContact CB-OG1 3.18Å; D100-T103 PolarHBondContact O-N 2.71Å; D100-T103 WeakPolarHBondContact OD2-CG2 3.45Å; D100-T103 PolarHBondContact OD2-OG1 3.38Å; D100-C104 WeakPolarHBondContact O-CB 3.38Å; D100-C104 PolarHBondContact O-N 2.92Å
101	Y	98.9	Very high	98.7	Very high	46 Å²	46	53.9 Å²	53.9	18%	0.18	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.7	177.9	80.3	-89.3	0	0	0	114.2	R84 K88 Y92 D93	R84-Y101 HydrophobicContact CB-CD2 4.22Å; R84-Y101 WeakPolarHBondContact CD-O 3.34Å; R84-Y101 VanDerWaalsContact CG-O 3.28Å; R84-Y101 WeakPolarHBondContact CG-O 3.34Å; R84-Y101 PolarHBondContact NH1-O 2.71Å; R84-Y101 WeakPolarHBondContact O-CB 3.28Å; K88-Y101 HydrophobicContact CB-CD1 3.69Å; K88-Y101 HydrophobicContact CB-CD2 4.01Å; K88-Y101 HydrophobicContact CB-CE1 3.95Å; K88-Y101 HydrophobicContact CB-CE2 4.23Å; K88-Y101 HydrophobicContact CB-CG 3.74Å; K88-Y101 HydrophobicContact CD-CD2 4.42Å; K88-Y101 HydrophobicContact CD-CE1 4Å; K88-Y101 HydrophobicContact CD-CE2 3.83Å; K88-Y101 HydrophobicContact CG-CD1 3.96Å; K88-Y101 HydrophobicContact CG-CE1 3.68Å; K88-Y101 HydrophobicContact CG-CE2 4.25Å; K88-Y101 HydrophobicContact CG-CG 4.38Å; Y92-Y101 PolarHBondContact O-N 3.07Å; D93-Y101 HydrophobicContact CB-CD1 3.96Å; D93-Y101 HydrophobicContact CB-CE1 3.8Å
102	K	98.8	Very high	98.7	Very high	107 Å²	107	60.8 Å²	60.8	47%	0.465	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-30	-176.9	-60.1	-179.3	-58.3	-57.4	0	112.3	D93 D100	D93-K102 PolarHBondContact O-NZ 2.84Å; D100-K102 VanDerWaalsContact CG-NZ 3.27Å; D100-K102 PolarHBondContact O-N 3.46Å; D100-K102 VanDerWaalsContact O-N 3.17Å; D100-K102 PolarHBondContact OD1-N 3.06Å; D100-K102 IonicContact OD1-NZ 2.77Å; D100-K102 PolarHBondContact OD1-NZ 3.11Å; D100-K102 IonicContact OD2-NZ 2.68Å; D100-K102 PolarHBondContact OD2-NZ 3.3Å
103	T	98.8	Very high	98.7	Very high	109 Å²	109	61.7 Å²	61.7	67%	0.669	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-11.9	-166.3	54	0	0	0	0	113.6	D100	D100-T103 WeakPolarHBondContact CB-OG1 3.18Å; D100-T103 PolarHBondContact O-N 2.71Å; D100-T103 WeakPolarHBondContact OD2-CG2 3.45Å; D100-T103 PolarHBondContact OD2-OG1 3.38Å
104	C	98.7	Very high	98.7	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.034	34%	0.34	C	S	.	.			trans	-63	146.7	177.3	70.7	0	0	0	0	112.3	R84 F99 D100	R84-C104 PolarHBondContact NH1-O 3.17Å; R84-C104 PolarHBondContact NH2-O 3.47Å; F99-C104 HydrophobicContact CE1-CB 4.04Å; F99-C104 HydrophobicContact CE2-CB 4.43Å; F99-C104 HydrophobicContact CZ-CB 3.85Å; D100-C104 WeakPolarHBondContact O-CB 3.38Å; D100-C104 PolarHBondContact O-N 2.92Å
105	N	98.9	Very high	98.6	Very high	81 Å²	81	62 Å²	62	43%	0.433	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	137.9	167.6	-172.8	20	0	0	0	109.7	G63 M64 I65 L107	G63-N105 WeakPolarHBondContact O-CB 3.48Å; G63-N105 PolarHBondContact O-N 3.36Å; M64-N105 WeakPolarHBondContact CA-O 3.42Å; I65-N105 PolarHBondContact N-O 3.08Å; N105-L107 WeakPolarHBondContact ND2-CG 3.31Å
106	V	98.9	Very high	98.6	Very high	6 Å²	6	63.4 Å²	63.4	4%	0.036	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	109.8	174.1	178.9	0	0	0	0	107	I65 Q80 V83 R84	I65-V106 CarbonylContact O-C 3.59Å; I65-V106 WeakPolarHBondContact O-CA 3.45Å; Q80-V106 PolarHBondContact NE2-O 2.73Å; V83-V106 HydrophobicContact CB-CG1 4.09Å; V83-V106 HydrophobicContact CB-CG2 4.34Å; V83-V106 HydrophobicContact CG1-CG1 4.02Å; V83-V106 HydrophobicContact CG1-CG2 3.69Å; V83-V106 HydrophobicContact CG2-CG1 3.98Å; R84-V106 HydrophobicContact CG-CG2 4.46Å
107	L	98.8	Very high	98.6	Very high	75 Å²	75	62.3 Å²	62.3	39%	0.393	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141	178.6	-62.5	174.3	0	0	0	109.2	M64 I65 L66 L67 N105	M64-L107 HydrophobicContact CG-CD1 4.28Å; M64-L107 HydrophobicContact SD-CD1 3.98Å; I65-L107 PolarHBondContact O-N 2.87Å; L66-L107 WeakPolarHBondContact CA-O 3.26Å; L66-L107 HydrophobicContact CD1-CB 3.77Å; L67-L107 PolarHBondContact N-O 2.96Å; N105-L107 WeakPolarHBondContact ND2-CG 3.31Å
108	V	98.8	Very high	98.6	Very high	67 Å²	67	61 Å²	61	41%	0.406	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119	-179	-174.7	0	0	0	0	108.6	L67 Y79 L110	L67-V108 HydrophobicContact CD1-CG2 4.35Å; Y79-V108 HydrophobicContact CD2-CG1 4.18Å; V108-L110 HydrophobicContact CG1-CB 4.12Å; V108-L110 HydrophobicContact CG1-CD1 3.87Å; V108-L110 HydrophobicContact CG1-CG 3.84Å
109	A	98.8	Very high	98.5	Very high	58 Å²	58	66 Å²	66	48%	0.479	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	58.4	175.6	0	0	0	0	0	108.8	L66 L67 A68 G69	L66-A109 HydrophobicContact CD1-CB 4.22Å; L67-A109 PolarHBondContact O-N 2.95Å; A68-A109 WeakPolarHBondContact CA-O 3.48Å; G69-A109 PolarHBondContact N-O 3.32Å
110	L	98.8	Very high	98.4	Very high	35 Å²	35	67 Å²	67	18%	0.183	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.4	179	-65.6	174.3	0	0	0	109.9	L67 G69 V71 Y79 V108	L67-L110 HydrophobicContact CB-CD1 4.32Å; L67-L110 HydrophobicContact CB-CD2 4.43Å; L67-L110 HydrophobicContact CB-CG 4.28Å; L67-L110 HydrophobicContact CD1-CD1 4.43Å; G69-L110 WeakPolarHBondContact O-CA 3.5Å; V71-L110 HydrophobicContact CG2-CD1 4.28Å; V71-L110 HydrophobicContact CG2-CD2 4.3Å; Y79-L110 HydrophobicContact CD1-CD1 4.16Å; Y79-L110 HydrophobicContact CE1-CD1 3.63Å; Y79-L110 HydrophobicContact CE2-CD1 4.2Å; V108-L110 HydrophobicContact CG1-CB 4.12Å; V108-L110 HydrophobicContact CG1-CD1 3.87Å; V108-L110 HydrophobicContact CG1-CG 3.84Å
111	E	98.7	Very high	98.4	Very high	152 Å²	152	66.4 Å²	66.4	71%	0.71	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	179.9	175.7	-66.7	-174.2	178.8	0	0	110.9	G69 E70 V71	G69-E111 PolarHBondContact O-N 3.44Å; E70-E111 CarbonylContact C-O 3.59Å; E70-E111 WeakPolarHBondContact CA-O 3.2Å; V71-E111 PolarHBondContact N-O 3.26Å
112	Q	98.4	Very high	98.4	Very high	152 Å²	152	66.2 Å²	66.2	71%	0.71	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-75.4	152.9	172.1	-66.1	-171.6	-10.3	0	0	110.7	S114	Q112-S114 PolarHBondContact O-N 2.97Å
113	Q	98.3	Very high	98.2	Very high	18 Å²	18	65.3 Å²	65.3	8%	0.084	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-55.7	135.2	166.9	-176.2	-178.8	47.1	0	0	110	T72 I117 H122	T72-Q113 WeakPolarHBondContact OG1-CB 3.46Å; T72-Q113 PolarHBondContact OG1-N 3.46Å; Q113-I117 HydrophobicContact CG-CB 4.44Å; Q113-I117 HydrophobicContact CG-CG2 4.43Å; Q113-H122 PolarHBondContact OE1-NE2 3.42Å
114	S	98.6	Very high	98.2	Very high	44 Å²	44	68.5 Å²	68.5	31%	0.308	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-49.1	127.3	174.3	170.7	0	0	0	0	111.6	Q112 D116 I117 A118	Q112-S114 PolarHBondContact O-N 2.97Å; S114-D116 PolarHBondContact O-N 2.95Å; S114-D116 PolarHBondContact OG-N 3Å; S114-I117 PolarHBondContact O-N 3.45Å; S114-I117 VanDerWaalsContact O-N 3.12Å; S114-A118 PolarHBondContact O-N 2.98Å
115	P	98.1	Very high	98.1	Very high	94 Å²	94	72.8 Å²	72.8	61%	0.61	39%	0.391	S	S	*	.	H	α-helix	trans	-57	-31.9	174.4	-26.6	35.5	0	0	0	113.2	I117 A118 Q119	P115-I117 VanDerWaalsContact C-N 3.34Å; P115-I117 PolarHBondContact O-N 3.34Å; P115-A118 PolarHBondContact O-N 3.17Å; P115-Q119 WeakPolarHBondContact O-CG 3.26Å; P115-Q119 PolarHBondContact O-N 3.35Å
116	D	98.3	Very high	98	Very high	124 Å²	124	76.6 Å²	76.6	66%	0.663	40%	0.404	S	S	*	.	H	α-helix	trans	-67.9	-34.5	178.8	-63.3	-26.4	0	0	0	112	S114 Q119	S114-D116 PolarHBondContact O-N 2.95Å; S114-D116 PolarHBondContact OG-N 3Å; D116-Q119 WeakPolarHBondContact O-CG 3.34Å; D116-Q119 PolarHBondContact O-NE2 3.45Å
117	I	97.3	Very high	97.9	Very high	67 Å²	67	80.7 Å²	80.7	34%	0.344	42%	0.422	S	S	.	.	H	α-helix	trans	-72.2	-45.3	172	-62.6	176.4	0	0	0	109.3	Q113 S114 P115 Q119 G120 V121	Q113-I117 HydrophobicContact CG-CB 4.44Å; Q113-I117 HydrophobicContact CG-CG2 4.43Å; S114-I117 PolarHBondContact O-N 3.45Å; S114-I117 VanDerWaalsContact O-N 3.12Å; P115-I117 VanDerWaalsContact C-N 3.34Å; P115-I117 PolarHBondContact O-N 3.34Å; I117-Q119 PolarHBondContact O-N 2.8Å; I117-G120 PolarHBondContact O-N 3.05Å; I117-V121 HydrophobicContact CG2-CG2 3.98Å; I117-V121 WeakPolarHBondContact O-CB 3.34Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 3.23Å
118	A	98.1	Very high	97.9	Very high	9 Å²	9	81.2 Å²	81.2	7%	0.074	42%	0.423	C	S	.	.	H	α-helix	trans	-58.8	-47.3	-177.1	0	0	0	0	0	112.2	S114 P115 G120 V121 H122 L123	S114-A118 PolarHBondContact O-N 2.98Å; P115-A118 PolarHBondContact O-N 3.17Å; A118-G120 VanDerWaalsContact C-N 3.32Å; A118-G120 PolarHBondContact O-N 2.99Å; A118-V121 PolarHBondContact O-N 2.83Å; A118-H122 PolarHBondContact O-N 2.9Å; A118-L123 HydrophobicContact CB-CD1 3.93Å; A118-L123 HydrophobicContact CB-CG 4.05Å; A118-L123 PolarHBondContact O-N 3Å
119	Q	97.6	Very high	97.8	Very high	121 Å²	121	81 Å²	81	57%	0.565	42%	0.42	S	S	*	.	H	α-helix	trans	-64.6	-33.6	179.3	68.4	77.7	38.7	0	0	113.2	P115 D116 I117 L123	P115-Q119 WeakPolarHBondContact O-CG 3.26Å; P115-Q119 PolarHBondContact O-N 3.35Å; D116-Q119 WeakPolarHBondContact O-CG 3.34Å; D116-Q119 PolarHBondContact O-NE2 3.45Å; I117-Q119 PolarHBondContact O-N 2.8Å; Q119-L123 HydrophobicContact CB-CD1 4.22Å
120	G	97.1	Very high	97.7	Very high	25 Å²	25	78.5 Å²	78.5	26%	0.258	40%	0.398	S	S	.	.	H	α-helix	trans	-78.6	-24.5	178.6	0	0	0	0	0	113.6	I117 A118 R125 G323	I117-G120 PolarHBondContact O-N 3.05Å; A118-G120 VanDerWaalsContact C-N 3.32Å; A118-G120 PolarHBondContact O-N 2.99Å; G120-R125 PolarHBondContact O-NH1 3.46Å; G120-R125 VanDerWaalsContact O-NH1 3.08Å; G120-G323 WeakPolarHBondContact O-CA 3.39Å
121	V	98	Very high	97.7	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-103.4	-54.5	-169.7	175.2	0	0	0	0	112.2	I117 A118 R125 V130 G131 I322	I117-V121 HydrophobicContact CG2-CG2 3.98Å; I117-V121 WeakPolarHBondContact O-CB 3.34Å; I117-V121 WeakPolarHBondContact O-CG2 3.38Å; I117-V121 PolarHBondContact O-N 3.23Å; A118-V121 PolarHBondContact O-N 2.83Å; V121-R125 VanDerWaalsContact O-CD 3.28Å; V121-R125 WeakPolarHBondContact O-CD 3.45Å; V121-R125 PolarHBondContact O-NH1 3.38Å; V121-V130 HydrophobicContact CG1-CG2 4.26Å; V121-V130 WeakPolarHBondContact O-CG2 3.4Å; V121-G131 WeakPolarHBondContact CG1-O 3.29Å; V121-G131 PolarHBondContact O-N 2.8Å; V121-I322 HydrophobicContact CG2-CD1 4.44Å; V121-I322 HydrophobicContact CG2-CG1 4Å
122	H	98	Very high	97.7	Very high	41 Å²	41	69.6 Å²	69.6	19%	0.19	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	-24.4	-163.7	65.2	84	0	0	0	116.7	K53 Q113 A118 D124 R125 V130	K53-H122 VanDerWaalsContact CE-CD2 3.46Å; K53-H122 WeakPolarHBondContact CE-CD2 3.46Å; Q113-H122 PolarHBondContact OE1-NE2 3.42Å; A118-H122 PolarHBondContact O-N 2.9Å; H122-D124 PolarHBondContact O-N 2.62Å; H122-R125 PolarHBondContact O-N 2.79Å; H122-V130 HydrophobicContact CB-CG2 3.73Å
123	L	96.4	Very high	97.6	Very high	88 Å²	88	62.8 Å²	62.8	46%	0.461	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	137.3	178.8	-62.4	178.3	0	0	0	111	A118 Q119 R125	A118-L123 HydrophobicContact CB-CD1 3.93Å; A118-L123 HydrophobicContact CB-CG 4.05Å; A118-L123 PolarHBondContact O-N 3Å; Q119-L123 HydrophobicContact CB-CD1 4.22Å; L123-R125 PolarHBondContact O-N 2.78Å
124	D	97.3	Very high	97.5	Very high	177 Å²	177	65.7 Å²	65.7	95%	0.947	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	20.7	179.8	-55.9	-43	0	0	0	115.4	H122	H122-D124 PolarHBondContact O-N 2.62Å
125	R	97.5	Very high	97.4	Very high	95 Å²	95	70 Å²	70	36%	0.358	36%	0.358	S	S	.	.			trans	-108.5	148.6	175.7	-62.2	-180	91.8	165.1	6.6	111.4	G120 V121 H122 L123 D129 G323	G120-R125 PolarHBondContact O-NH1 3.46Å; G120-R125 VanDerWaalsContact O-NH1 3.08Å; V121-R125 VanDerWaalsContact O-CD 3.28Å; V121-R125 WeakPolarHBondContact O-CD 3.45Å; V121-R125 PolarHBondContact O-NH1 3.38Å; H122-R125 PolarHBondContact O-N 2.79Å; L123-R125 PolarHBondContact O-N 2.78Å; R125-D129 PolarHBondContact NE-O 2.92Å; R125-D129 VanDerWaalsContact NE-O 3.12Å; R125-D129 PolarHBondContact NH2-O 3.19Å; R125-G323 VanDerWaalsContact CZ-O 3.31Å; R125-G323 PolarHBondContact NH1-O 3.04Å; R125-G323 PolarHBondContact NH2-O 2.66Å
126	K	97	Very high	97.4	Very high	161 Å²	161	66.8 Å²	66.8	70%	0.7	34%	0.341	S	S	*	.			trans	-67.9	143.9	167.3	-64.1	-179.8	-178	176.7	0	108.9	E128 D129 V130	K126-E128 VanDerWaalsContact C-N 3.28Å; K126-E128 PolarHBondContact O-N 2.78Å; K126-D129 CarbonylContact O-C 3.41Å; K126-D129 PolarHBondContact O-N 2.99Å; K126-V130 PolarHBondContact O-N 3.1Å; K126-V130 VanDerWaalsContact O-N 3.11Å
127	E	97	Very high	97.4	Very high	91 Å²	91	64.2 Å²	64.2	43%	0.425	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-54.5	-42.9	-177.5	-178.1	167.4	123	0	0	112.7	D129 V130 G358 K367	E127-D129 PolarHBondContact O-N 3.29Å; E127-V130 WeakPolarHBondContact O-CB 3.2Å; E127-V130 VanDerWaalsContact O-CG1 3.24Å; E127-V130 WeakPolarHBondContact O-CG1 3.4Å; E127-V130 PolarHBondContact O-N 2.83Å; E127-G358 WeakPolarHBondContact O-CA 3.49Å; E127-K367 VanDerWaalsContact CD-NZ 3.28Å; E127-K367 IonicContact OE1-NZ 2.72Å; E127-K367 PolarHBondContact OE1-NZ 2.8Å; E127-K367 IonicContact OE2-NZ 3.94Å; E127-K367 PolarHBondContact OE2-NZ 3.49Å
128	E	97	Very high	97.5	Very high	87 Å²	87	61.3 Å²	61.3	41%	0.407	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-62.5	-26.9	178.9	-60	-168.1	151.1	0	0	113.7	K126 R362	K126-E128 VanDerWaalsContact C-N 3.28Å; K126-E128 PolarHBondContact O-N 2.78Å; E128-R362 IonicContact OE1-CZ 3.71Å; E128-R362 IonicContact OE1-NH1 2.7Å; E128-R362 PolarHBondContact OE1-NH1 2.81Å; E128-R362 IonicContact OE1-NH2 3.91Å
129	D	97.3	Very high	97.5	Very high	63 Å²	63	62.1 Å²	62.1	34%	0.337	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-107.4	15	-177.2	-62.9	-45.2	0	0	0	112.3	R125 K126 E127 G131 R356	R125-D129 PolarHBondContact NE-O 2.92Å; R125-D129 VanDerWaalsContact NE-O 3.12Å; R125-D129 PolarHBondContact NH2-O 3.19Å; K126-D129 CarbonylContact O-C 3.41Å; K126-D129 PolarHBondContact O-N 2.99Å; E127-D129 PolarHBondContact O-N 3.29Å; D129-G131 PolarHBondContact O-N 2.75Å; D129-R356 IonicContact OD1-CZ 3.14Å; D129-R356 IonicContact OD1-NH1 3.29Å; D129-R356 PolarHBondContact OD1-NH1 3.09Å
130	V	97.6	Very high	97.6	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.024	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-55.7	133.3	171.7	72.9	0	0	0	0	109.1	V121 H122 K126 E127 Y287 T288 A325 P357	V121-V130 HydrophobicContact CG1-CG2 4.26Å; V121-V130 WeakPolarHBondContact O-CG2 3.4Å; H122-V130 HydrophobicContact CB-CG2 3.73Å; K126-V130 PolarHBondContact O-N 3.1Å; K126-V130 VanDerWaalsContact O-N 3.11Å; E127-V130 WeakPolarHBondContact O-CB 3.2Å; E127-V130 VanDerWaalsContact O-CG1 3.24Å; E127-V130 WeakPolarHBondContact O-CG1 3.4Å; E127-V130 PolarHBondContact O-N 2.83Å; V130-Y287 HydrophobicContact CG1-CE2 4.24Å; V130-T288 HydrophobicContact CG2-CG2 4.33Å; V130-A325 WeakPolarHBondContact O-CB 3.37Å; V130-P357 HydrophobicContact CG1-CB 4.15Å
131	G	97.8	Very high	97.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-67.2	157.5	176.5	0	0	0	0	0	111.2	V121 D129 G133	V121-G131 WeakPolarHBondContact CG1-O 3.29Å; V121-G131 PolarHBondContact O-N 2.8Å; D129-G131 PolarHBondContact O-N 2.75Å; G131-G133 PolarHBondContact O-N 2.66Å
132	A	98.3	Very high	97.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-57.1	134.2	163.7	0	0	0	0	0	109.7	D134 V290 Y320 I322 G323 V324	A132-D134 WeakPolarHBondContact CB-O 3.35Å; A132-D134 PolarHBondContact O-N 2.8Å; A132-V290 HydrophobicContact CB-CB 4.49Å; A132-V290 HydrophobicContact CB-CG1 3.6Å; A132-V290 HydrophobicContact CB-CG2 4.07Å; A132-Y320 HydrophobicContact CB-CD1 3.93Å; A132-Y320 HydrophobicContact CB-CG 3.99Å; A132-I322 WeakPolarHBondContact O-CA 3.23Å; A132-G323 PolarHBondContact O-N 2.87Å; A132-V324 WeakPolarHBondContact CB-O 3.23Å; A132-V324 PolarHBondContact N-O 2.84Å
133	G	96.8	Very high	97.8	Very high	10 Å²	10	53.2 Å²	53.2	10%	0.103	27%	0.266	C	S	.	.	S	Bend	trans	-68	-15.3	-178.6	0	0	0	0	0	114.3	G131 T288	G131-G133 PolarHBondContact O-N 2.66Å; G133-T288 VanDerWaalsContact CA-O 3.3Å; G133-T288 WeakPolarHBondContact CA-O 3.32Å; G133-T288 PolarHBondContact N-O 2.91Å
134	D	97.3	Very high	97.9	Very high	79 Å²	79	52.1 Å²	52.1	42%	0.422	26%	0.26	S	S	.	.	S	Bend	trans	-156.5	168.6	173.3	-160	-1.7	0	0	0	109.4	A132 V290	A132-D134 WeakPolarHBondContact CB-O 3.35Å; A132-D134 PolarHBondContact O-N 2.8Å; D134-V290 WeakPolarHBondContact O-CG2 3.29Å
135	Q	96.3	Very high	97.9	Very high	135 Å²	135	44.9 Å²	44.9	63%	0.631	22%	0.221	S	C	*	.			trans	-73.8	160	160.3	65.9	172	47.6	0	0	110.8	Y320	Q135-Y320 VanDerWaalsContact CA-O 3.25Å; Q135-Y320 WeakPolarHBondContact CA-O 3.43Å
136	G	97.8	Very high	98	Very high	25 Å²	25	41.3 Å²	41.3	26%	0.258	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	160.3	178.1	171.8	0	0	0	0	0	112.4	A319 Y320	G136-A319 CarbonylContact O-C 3.51Å; G136-A319 WeakPolarHBondContact O-CA 3.32Å; G136-A319 WeakPolarHBondContact O-CB 3.3Å; G136-Y320 PolarHBondContact N-O 3Å; G136-Y320 VanDerWaalsContact N-O 3.13Å; G136-Y320 PolarHBondContact O-N 3.14Å
137	L	98.3	Very high	98	Very high	71 Å²	71	39.1 Å²	39.1	37%	0.372	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.4	175.4	60.9	98.5	0	0	0	109	F139 G278 V318 A319	L137-F139 HydrophobicContact CD1-CD2 4.15Å; L137-F139 HydrophobicContact CD1-CE2 3.34Å; L137-F139 HydrophobicContact CD1-CZ 3.99Å; L137-G278 VanDerWaalsContact CD1-CA 3.5Å; L137-G278 WeakPolarHBondContact O-CA 3.43Å; L137-V318 CarbonylContact C-O 3.55Å; L137-V318 VanDerWaalsContact CA-O 3.31Å; L137-V318 WeakPolarHBondContact CA-O 3.32Å; L137-A319 HydrophobicContact CB-CB 4.14Å
138	M	98.9	Very high	98	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.3	-175.6	-57.7	82.2	-153.1	0	0	109.7	V290 D291 A294 A295 Q317 V318 Y320	M138-V290 HydrophobicContact CE-CB 4.19Å; M138-V290 HydrophobicContact CE-CG2 3.7Å; M138-V290 WeakPolarHBondContact CG-O 3.48Å; M138-V290 HydrophobicContact SD-CB 4.31Å; M138-V290 HydrophobicContact SD-CG2 4.33Å; M138-D291 WeakPolarHBondContact CE-OD1 3.31Å; M138-A294 HydrophobicContact CB-CB 4.47Å; M138-A294 HydrophobicContact CG-CB 4.23Å; M138-A294 HydrophobicContact SD-CB 4.09Å; M138-A295 HydrophobicContact CB-CB 4.21Å; M138-A295 HydrophobicContact CG-CB 4.47Å; M138-Q317 WeakPolarHBondContact O-CA 3.2Å; M138-V318 HydrophobicContact CB-CG2 3.92Å; M138-V318 PolarHBondContact N-O 2.99Å; M138-V318 PolarHBondContact O-N 3.39Å; M138-Y320 HydrophobicContact SD-CD2 4.08Å; M138-Y320 HydrophobicContact SD-CE2 4.38Å
139	F	98.9	Very high	98.1	Very high	26 Å²	26	32.4 Å²	32.4	11%	0.114	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.9	-178.6	-66.7	-87.7	0	0	0	113.3	L137 Y271 A276 L315 V316 Q317	L137-F139 HydrophobicContact CD1-CD2 4.15Å; L137-F139 HydrophobicContact CD1-CE2 3.34Å; L137-F139 HydrophobicContact CD1-CZ 3.99Å; F139-Y271 PolarHBondContact O-OH 2.99Å; F139-A276 HydrophobicContact CB-CB 4.41Å; F139-A276 WeakPolarHBondContact CB-O 3.24Å; F139-A276 HydrophobicContact CD1-CB 3.77Å; F139-A276 HydrophobicContact CD2-CB 3.8Å; F139-A276 HydrophobicContact CE1-CB 3.78Å; F139-A276 HydrophobicContact CE2-CB 3.82Å; F139-A276 HydrophobicContact CG-CB 3.75Å; F139-A276 HydrophobicContact CZ-CB 3.8Å; F139-L315 HydrophobicContact CB-CD1 3.98Å; F139-L315 HydrophobicContact CD1-CD1 3.71Å; F139-L315 HydrophobicContact CD1-CD2 4.12Å; F139-L315 HydrophobicContact CD1-CG 3.94Å; F139-L315 HydrophobicContact CE1-CD2 4.24Å; F139-L315 HydrophobicContact CE1-CG 4.49Å; F139-L315 HydrophobicContact CG-CD1 4.21Å; F139-V316 CarbonylContact C-O 3.4Å; F139-V316 WeakPolarHBondContact CA-O 3.42Å; F139-Q317 HydrophobicContact CD1-CB 3.8Å; F139-Q317 HydrophobicContact CD1-CG 3.99Å; F139-Q317 HydrophobicContact CE1-CB 3.59Å; F139-Q317 HydrophobicContact CE1-CG 3.51Å; F139-Q317 HydrophobicContact CZ-CB 4.44Å; F139-Q317 HydrophobicContact CZ-CG 3.86Å
140	G	98.9	Very high	98.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.6	168.4	0	0	0	0	0	110.2	Y271 A298 L315 V316	G140-Y271 WeakPolarHBondContact CA-OH 3.5Å; G140-A298 WeakPolarHBondContact CA-O 3.36Å; G140-A298 VanDerWaalsContact N-CB 3.33Å; G140-L315 CarbonylContact O-C 3.43Å; G140-L315 WeakPolarHBondContact O-CA 3.4Å; G140-V316 PolarHBondContact N-O 3.29Å; G140-V316 PolarHBondContact O-N 3.13Å
141	Y	98.9	Very high	98.2	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.1	176.1	176.9	-96	0	0	0	111.3	T143 P151 Y271 W274 R299 R313 V314 Y335	Y141-T143 HydrophobicContact CE1-CG2 3.76Å; Y141-P151 HydrophobicContact CD1-CG 4.46Å; Y141-P151 HydrophobicContact CE1-CG 3.86Å; Y141-Y271 AromaticContact CD1-CD1 3.96Å; Y141-Y271 HydrophobicContact CD1-CD1 3.96Å; Y141-Y271 HydrophobicContact CD1-CG 4.13Å; Y141-Y271 HydrophobicContact CG-CD1 4.38Å; Y141-Y271 HydrophobicContact CG-CG 4.36Å; Y141-Y271 VanDerWaalsContact N-CZ 3.26Å; Y141-Y271 PolarHBondContact N-OH 3.47Å; Y141-Y271 WeakPolarHBondContact O-CE1 3.28Å; Y141-W274 HydrophobicContact CE1-CB 4.03Å; Y141-R299 WeakPolarHBondContact O-CD 3.45Å; Y141-R299 PolarHBondContact O-NH1 3.37Å; Y141-R313 HydrophobicContact CE2-CG 3.73Å; Y141-R313 WeakPolarHBondContact OH-CD 3.36Å; Y141-V314 WeakPolarHBondContact CA-O 3.39Å; Y141-V314 VanDerWaalsContact CD2-O 3.31Å; Y141-V314 WeakPolarHBondContact CD2-O 3.26Å; Y141-Y335 HydrophobicContact CE2-CE2 4.39Å
142	A	98.9	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148.7	170.7	0	0	0	0	0	110.3	C149 A302 V306 R313 V314	A142-C149 HydrophobicContact CB-CB 4.24Å; A142-A302 HydrophobicContact CB-CB 3.89Å; A142-V306 HydrophobicContact CB-CB 4.23Å; A142-V306 HydrophobicContact CB-CG2 3.65Å; A142-R313 WeakPolarHBondContact O-CA 3.35Å; A142-V314 HydrophobicContact CB-CG1 4.39Å; A142-V314 PolarHBondContact N-O 3.23Å; A142-V314 VanDerWaalsContact N-O 3.13Å; A142-V314 PolarHBondContact O-N 3.13Å
143	T	98.9	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.9	-179.5	175.2	0	0	0	0	108	Y141 E145 C149 P151 K312	Y141-T143 HydrophobicContact CE1-CG2 3.76Å; T143-E145 VanDerWaalsContact C-N 3.29Å; T143-E145 HydrophobicContact CG2-CG 3.73Å; T143-E145 WeakPolarHBondContact CG2-OE2 3.47Å; T143-E145 PolarHBondContact OG1-N 2.83Å; T143-E145 PolarHBondContact OG1-OE2 3.4Å; T143-C149 PolarHBondContact N-O 3.43Å; T143-C149 CarbonylContact O-C 3.57Å; T143-C149 VanDerWaalsContact O-C 3.31Å; T143-C149 WeakPolarHBondContact O-CA 3.33Å; T143-C149 WeakPolarHBondContact O-CB 3.43Å; T143-P151 HydrophobicContact CG2-CG 4.38Å; T143-K312 CarbonylContact C-O 3.53Å; T143-K312 WeakPolarHBondContact CA-O 3.48Å
144	D	98.6	Very high	98.4	Very high	64 Å²	64	29.5 Å²	29.5	34%	0.342	15%	0.153	S	C	.	.	S	Bend	trans	-86	2	178.6	70.5	-25.3	0	0	0	113.4	T146 V306 K312	D144-T146 PolarHBondContact O-N 2.95Å; D144-V306 HydrophobicContact CB-CG1 4.12Å; D144-K312 HydrophobicContact CB-CB 4.36Å; D144-K312 PolarHBondContact N-O 2.95Å; D144-K312 WeakPolarHBondContact OD2-CB 3.47Å; D144-K312 VanDerWaalsContact OD2-CD 3.29Å; D144-K312 WeakPolarHBondContact OD2-CD 3.36Å; D144-K312 VanDerWaalsContact OD2-CG 3.27Å; D144-K312 WeakPolarHBondContact OD2-CG 3.36Å
145	E	98.1	Very high	98.5	Very high	25 Å²	25	26.3 Å²	26.3	12%	0.117	14%	0.136	C	C	.	.	S	Bend	trans	-66.4	-16.9	-176.4	76.6	-169.6	-108.7	0	0	114.3	T143 P151 L152 Y188 M195 P197	T143-E145 VanDerWaalsContact C-N 3.29Å; T143-E145 HydrophobicContact CG2-CG 3.73Å; T143-E145 WeakPolarHBondContact CG2-OE2 3.47Å; T143-E145 PolarHBondContact OG1-N 2.83Å; T143-E145 PolarHBondContact OG1-OE2 3.4Å; E145-P151 VanDerWaalsContact OE1-CA 3.32Å; E145-P151 WeakPolarHBondContact OE1-CA 3.45Å; E145-L152 PolarHBondContact OE1-N 2.86Å; E145-Y188 VanDerWaalsContact OE1-CE1 3.3Å; E145-Y188 WeakPolarHBondContact OE1-CE1 3.38Å; E145-Y188 PolarHBondContact OE1-OH 2.89Å; E145-M195 WeakPolarHBondContact CB-O 3.35Å; E145-P197 HydrophobicContact CB-CG 4.22Å
146	T	98.6	Very high	98.6	Very high	20 Å²	20	20 Å²	20	12%	0.123	11%	0.107	C	C	.	.	S	Bend	trans	-136.3	159.1	172.3	62.9	0	0	0	0	111	D144 E148 C149 M150 L152	D144-T146 PolarHBondContact O-N 2.95Å; T146-E148 VanDerWaalsContact C-N 3.29Å; T146-E148 WeakPolarHBondContact CB-OE2 3.39Å; T146-E148 PolarHBondContact O-N 3.16Å; T146-C149 PolarHBondContact O-N 2.92Å; T146-C149 VanDerWaalsContact O-N 3.08Å; T146-M150 WeakPolarHBondContact CG2-O 3.27Å; T146-M150 PolarHBondContact OG1-N 2.9Å; T146-M150 PolarHBondContact OG1-O 2.94Å; T146-L152 HydrophobicContact CG2-CB 4.1Å; T146-L152 HydrophobicContact CG2-CD1 4Å
147	E	97.5	Very high	98.7	Very high	115 Å²	115	18.9 Å²	18.9	54%	0.537	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-44.2	178.8	-168	-66.7	131	0	0	110.7	C149 K307	E147-C149 PolarHBondContact O-N 2.9Å; E147-K307 WeakPolarHBondContact O-CE 3.4Å; E147-K307 PolarHBondContact O-NZ 2.75Å; E147-K307 IonicContact OE1-NZ 3.04Å; E147-K307 PolarHBondContact OE1-NZ 3.48Å
148	E	97.8	Very high	98.7	Very high	34 Å²	34	16.1 Å²	16.1	16%	0.159	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	3.9	-179.7	58	-94.5	-120	0	0	113.8	T146 M150 V155 K159 R299 G381	T146-E148 VanDerWaalsContact C-N 3.29Å; T146-E148 WeakPolarHBondContact CB-OE2 3.39Å; T146-E148 PolarHBondContact O-N 3.16Å; E148-M150 VanDerWaalsContact C-N 3.32Å; E148-M150 HydrophobicContact CG-CB 4.07Å; E148-M150 HydrophobicContact CG-CG 4.4Å; E148-M150 PolarHBondContact O-N 2.94Å; E148-V155 HydrophobicContact CG-CG2 4.11Å; E148-V155 VanDerWaalsContact OE1-CG1 3.31Å; E148-V155 WeakPolarHBondContact OE1-CG1 3.25Å; E148-K159 IonicContact OE1-NZ 2.65Å; E148-K159 PolarHBondContact OE1-NZ 2.94Å; E148-R299 PolarHBondContact O-NH2 3.08Å; E148-G381 WeakPolarHBondContact CB-O 3.18Å
149	C	98.8	Very high	98.7	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.02	10%	0.1	C	C	.	.	S	Bend	trans	56.2	39	-177.5	-58.5	0	0	0	0	114.2	A142 T143 T146 E147 R299 K303 K307	A142-C149 HydrophobicContact CB-CB 4.24Å; T143-C149 PolarHBondContact N-O 3.43Å; T143-C149 CarbonylContact O-C 3.57Å; T143-C149 VanDerWaalsContact O-C 3.31Å; T143-C149 WeakPolarHBondContact O-CA 3.33Å; T143-C149 WeakPolarHBondContact O-CB 3.43Å; T146-C149 PolarHBondContact O-N 2.92Å; T146-C149 VanDerWaalsContact O-N 3.08Å; E147-C149 PolarHBondContact O-N 2.9Å; C149-R299 PolarHBondContact O-NH1 3.41Å; C149-K303 HydrophobicContact CB-CG 4.09Å; C149-K307 VanDerWaalsContact SG-CE 3.51Å
150	M	98.9	Very high	98.7	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.015	9%	0.094	C	C	.	.	S	Bend	trans	-122.9	156.6	-178.9	-76.8	-64.8	-75.8	0	0	111.7	T146 E148 L152 I154 V155 T270 Y271 F380	T146-M150 WeakPolarHBondContact CG2-O 3.27Å; T146-M150 PolarHBondContact OG1-N 2.9Å; T146-M150 PolarHBondContact OG1-O 2.94Å; E148-M150 VanDerWaalsContact C-N 3.32Å; E148-M150 HydrophobicContact CG-CB 4.07Å; E148-M150 HydrophobicContact CG-CG 4.4Å; E148-M150 PolarHBondContact O-N 2.94Å; M150-L152 PolarHBondContact O-N 3.2Å; M150-I154 HydrophobicContact CE-CG2 3.87Å; M150-V155 HydrophobicContact CB-CG2 3.57Å; M150-T270 WeakPolarHBondContact CE-O 3.39Å; M150-Y271 HydrophobicContact CE-CD1 4.12Å; M150-Y271 HydrophobicContact SD-CD1 4Å; M150-Y271 HydrophobicContact SD-CE1 4.28Å; M150-F380 HydrophobicContact CE-CB 4.04Å; M150-F380 HydrophobicContact SD-CB 3.84Å
151	P	98.9	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.			trans	-61.4	133.7	173.1	-17.8	27.8	0	0	0	112.4	Y141 T143 E145 T153 I154 V155 W274	Y141-P151 HydrophobicContact CD1-CG 4.46Å; Y141-P151 HydrophobicContact CE1-CG 3.86Å; T143-P151 HydrophobicContact CG2-CG 4.38Å; E145-P151 VanDerWaalsContact OE1-CA 3.32Å; E145-P151 WeakPolarHBondContact OE1-CA 3.45Å; P151-T153 PolarHBondContact O-N 3.1Å; P151-I154 HydrophobicContact CB-CG2 4.09Å; P151-I154 HydrophobicContact CG-CG2 4.15Å; P151-I154 WeakPolarHBondContact O-CG2 3.39Å; P151-I154 PolarHBondContact O-N 2.95Å; P151-V155 WeakPolarHBondContact O-CG2 3.37Å; P151-V155 PolarHBondContact O-N 2.91Å; P151-V155 VanDerWaalsContact O-N 3.16Å; P151-W274 HydrophobicContact CB-CB 4.49Å; P151-W274 HydrophobicContact CB-CD2 4.47Å; P151-W274 HydrophobicContact CB-CG 3.86Å; P151-W274 HydrophobicContact CG-CB 3.71Å; P151-W274 HydrophobicContact CG-CD2 4.5Å; P151-W274 HydrophobicContact CG-CG 3.59Å
152	L	98.8	Very high	98.7	Very high	13 Å²	13	21.2 Å²	21.2	7%	0.068	11%	0.109	C	C	.	.	H	α-helix	trans	-59.1	-36.4	-179.7	-176.4	66.1	0	0	0	111.6	E145 T146 M150 I154 V155 L156 P197 Y235	E145-L152 PolarHBondContact OE1-N 2.86Å; T146-L152 HydrophobicContact CG2-CB 4.1Å; T146-L152 HydrophobicContact CG2-CD1 4Å; M150-L152 PolarHBondContact O-N 3.2Å; L152-I154 PolarHBondContact O-N 2.88Å; L152-V155 PolarHBondContact O-N 3.06Å; L152-L156 HydrophobicContact CD1-CD1 4.11Å; L152-L156 HydrophobicContact CD1-CD2 4.32Å; L152-L156 HydrophobicContact CD1-CG 3.94Å; L152-L156 HydrophobicContact CD2-CD1 4.28Å; L152-L156 HydrophobicContact CG-CD1 3.84Å; L152-L156 HydrophobicContact CG-CG 4.09Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 VanDerWaalsContact O-CG 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 3.06Å; L152-P197 HydrophobicContact CB-CG 4.11Å; L152-P197 HydrophobicContact CD2-CB 3.51Å; L152-P197 HydrophobicContact CD2-CG 3.81Å; L152-Y235 HydrophobicContact CD2-CD2 4.18Å; L152-Y235 HydrophobicContact CD2-CE1 4.38Å; L152-Y235 HydrophobicContact CD2-CE2 3.73Å
153	T	98.9	Very high	98.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-54.2	-51.6	178.1	49.6	0	0	0	0	112.6	F20 S22 P151 A157 V186 Y188 W274	F20-T153 WeakPolarHBondContact O-CG2 3.49Å; S22-T153 VanDerWaalsContact OG-CB 3.24Å; S22-T153 WeakPolarHBondContact OG-CB 3.34Å; S22-T153 PolarHBondContact OG-OG1 3.12Å; P151-T153 PolarHBondContact O-N 3.1Å; T153-A157 WeakPolarHBondContact O-CB 3.42Å; T153-A157 PolarHBondContact O-N 2.92Å; T153-A157 VanDerWaalsContact O-N 3.16Å; T153-V186 HydrophobicContact CG2-CB 3.65Å; T153-V186 HydrophobicContact CG2-CG2 3.59Å; T153-Y188 HydrophobicContact CG2-CE2 3.82Å; T153-W274 PolarHBondContact OG1-NE1 2.77Å; T153-W274 VanDerWaalsContact OG1-NE1 3.15Å
154	I	98.9	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-76.2	-34.5	-177.2	-167.7	60.8	0	0	0	111.7	E23 M150 P151 L152 L156 A157 H158	E23-I154 WeakPolarHBondContact O-CD1 2.82Å; M150-I154 HydrophobicContact CE-CG2 3.87Å; P151-I154 HydrophobicContact CB-CG2 4.09Å; P151-I154 HydrophobicContact CG-CG2 4.15Å; P151-I154 WeakPolarHBondContact O-CG2 3.39Å; P151-I154 PolarHBondContact O-N 2.95Å; L152-I154 PolarHBondContact O-N 2.88Å; I154-L156 PolarHBondContact O-N 3.14Å; I154-A157 PolarHBondContact O-N 3.34Å; I154-H158 WeakPolarHBondContact CG1-NE2 3.43Å; I154-H158 PolarHBondContact O-CD2 3.08Å; I154-H158 VanDerWaalsContact O-CG 3.3Å; I154-H158 PolarHBondContact O-N 3.49Å
155	V	98.9	Very high	98.7	Very high	12 Å²	12	20.8 Å²	20.8	7%	0.073	11%	0.106	C	C	.	.	H	α-helix	trans	-58.9	-48.8	174.5	168.6	0	0	0	0	110.9	E148 M150 P151 L152 H158 K159	E148-V155 HydrophobicContact CG-CG2 4.11Å; E148-V155 VanDerWaalsContact OE1-CG1 3.31Å; E148-V155 WeakPolarHBondContact OE1-CG1 3.25Å; M150-V155 HydrophobicContact CB-CG2 3.57Å; P151-V155 WeakPolarHBondContact O-CG2 3.37Å; P151-V155 PolarHBondContact O-N 2.91Å; P151-V155 VanDerWaalsContact O-N 3.16Å; L152-V155 PolarHBondContact O-N 3.06Å; V155-H158 PolarHBondContact O-N 3.17Å; V155-K159 HydrophobicContact CG1-CD 3.93Å; V155-K159 VanDerWaalsContact CG1-NZ 3.34Å; V155-K159 WeakPolarHBondContact O-CB 3.45Å; V155-K159 WeakPolarHBondContact O-CG 3.35Å; V155-K159 PolarHBondContact O-N 3.09Å
156	L	98.9	Very high	98.7	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-44.5	178.3	-68.7	178.1	0	0	0	111.3	L152 I154 H158 K159 L160 V184 V200 V230 V231	L152-L156 HydrophobicContact CD1-CD1 4.11Å; L152-L156 HydrophobicContact CD1-CD2 4.32Å; L152-L156 HydrophobicContact CD1-CG 3.94Å; L152-L156 HydrophobicContact CD2-CD1 4.28Å; L152-L156 HydrophobicContact CG-CD1 3.84Å; L152-L156 HydrophobicContact CG-CG 4.09Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 VanDerWaalsContact O-CG 3.32Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 3.06Å; I154-L156 PolarHBondContact O-N 3.14Å; L156-H158 VanDerWaalsContact C-N 3.33Å; L156-H158 PolarHBondContact O-N 3.42Å; L156-K159 PolarHBondContact O-N 2.85Å; L156-L160 VanDerWaalsContact O-CG 3.28Å; L156-L160 WeakPolarHBondContact O-CG 3.46Å; L156-L160 PolarHBondContact O-N 2.84Å; L156-V184 HydrophobicContact CB-CG1 4.26Å; L156-V184 HydrophobicContact CB-CG2 4.1Å; L156-V184 HydrophobicContact CD1-CG1 4.16Å; L156-V200 HydrophobicContact CD1-CG2 3.99Å; L156-V230 HydrophobicContact CD2-CG1 4.35Å; L156-V231 HydrophobicContact CD1-CG1 4.29Å; L156-V231 HydrophobicContact CD2-CG2 4.32Å
157	A	98.9	Very high	98.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.7	-42.5	177.1	0	0	0	0	0	112.3	T153 I154 N161 T182 V184	T153-A157 WeakPolarHBondContact O-CB 3.42Å; T153-A157 PolarHBondContact O-N 2.92Å; T153-A157 VanDerWaalsContact O-N 3.16Å; I154-A157 PolarHBondContact O-N 3.34Å; A157-N161 PolarHBondContact O-N 3.41Å; A157-N161 PolarHBondContact O-ND2 3.49Å; A157-N161 VanDerWaalsContact O-ND2 3.07Å; A157-T182 PolarHBondContact O-OG1 3.35Å; A157-V184 HydrophobicContact CB-CG2 4.1Å
158	H	98.9	Very high	98.8	Very high	14 Å²	14	20 Å²	20	7%	0.065	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-50.1	173.5	-71	-29.4	0	0	0	112.3	S24 I154 V155 L156 L160 N161 A162 V268 Y377	S24-H158 WeakPolarHBondContact CB-ND1 3.27Å; S24-H158 PolarHBondContact OG-CE1 3.33Å; S24-H158 PolarHBondContact OG-ND1 3.4Å; I154-H158 WeakPolarHBondContact CG1-NE2 3.43Å; I154-H158 PolarHBondContact O-CD2 3.08Å; I154-H158 VanDerWaalsContact O-CG 3.3Å; I154-H158 PolarHBondContact O-N 3.49Å; V155-H158 PolarHBondContact O-N 3.17Å; L156-H158 VanDerWaalsContact C-N 3.33Å; L156-H158 PolarHBondContact O-N 3.42Å; H158-L160 VanDerWaalsContact C-N 3.29Å; H158-L160 PolarHBondContact O-N 3.49Å; H158-N161 PolarHBondContact O-N 3.3Å; H158-A162 PolarHBondContact O-N 3.1Å; H158-V268 PolarHBondContact CE1-O 2.88Å; H158-V268 PolarHBondContact NE2-O 2.91Å; H158-Y377 PolarHBondContact CD2-O 3.06Å
159	K	98.9	Very high	98.9	Very high	100 Å²	100	23.6 Å²	23.6	44%	0.435	11%	0.112	S	C	.	.	H	α-helix	trans	-63.2	-33.6	-176.7	-72.9	174.7	179.6	164.4	0	112.1	E148 V155 L156 A162 K163 V230	E148-K159 IonicContact OE1-NZ 2.65Å; E148-K159 PolarHBondContact OE1-NZ 2.94Å; V155-K159 HydrophobicContact CG1-CD 3.93Å; V155-K159 VanDerWaalsContact CG1-NZ 3.34Å; V155-K159 WeakPolarHBondContact O-CB 3.45Å; V155-K159 WeakPolarHBondContact O-CG 3.35Å; V155-K159 PolarHBondContact O-N 3.09Å; L156-K159 PolarHBondContact O-N 2.85Å; K159-A162 PolarHBondContact O-N 2.68Å; K159-K163 WeakPolarHBondContact O-CB 3.35Å; K159-K163 PolarHBondContact O-N 2.91Å; K159-V230 HydrophobicContact CB-CG1 3.42Å; K159-V230 VanDerWaalsContact CB-CG1 3.42Å; K159-V230 HydrophobicContact CB-CG2 4.46Å
160	L	98.9	Very high	98.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-46.5	173.6	-70.1	169.2	0	0	0	112	L156 H158 K163 M164 T182 V184 V203 V226 V227 V230 V231	L156-L160 VanDerWaalsContact O-CG 3.28Å; L156-L160 WeakPolarHBondContact O-CG 3.46Å; L156-L160 PolarHBondContact O-N 2.84Å; H158-L160 VanDerWaalsContact C-N 3.29Å; H158-L160 PolarHBondContact O-N 3.49Å; L160-K163 PolarHBondContact O-N 3.41Å; L160-M164 PolarHBondContact O-N 2.98Å; L160-M164 VanDerWaalsContact O-N 3.08Å; L160-T182 HydrophobicContact CB-CG2 3.75Å; L160-T182 HydrophobicContact CD1-CG2 4.49Å; L160-V184 HydrophobicContact CD1-CG2 3.69Å; L160-V203 HydrophobicContact CD1-CG1 4Å; L160-V226 HydrophobicContact CD2-CG1 3.91Å; L160-V227 HydrophobicContact CD2-CB 4.41Å; L160-V227 HydrophobicContact CD2-CG2 4.07Å; L160-V230 HydrophobicContact CD2-CB 3.92Å; L160-V230 HydrophobicContact CD2-CG1 4.06Å; L160-V230 HydrophobicContact CD2-CG2 4.32Å; L160-V230 HydrophobicContact CG-CG1 4.12Å; L160-V231 HydrophobicContact CD2-CG2 4.5Å
161	N	98.9	Very high	98.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-40	175.6	-74.4	-69.2	0	0	0	112.5	S24 V25 G26 A157 H158 K163 M164 A165 S180 T182 Y377	S24-N161 VanDerWaalsContact C-ND2 3.3Å; S24-N161 PolarHBondContact O-ND2 3.42Å; V25-N161 PolarHBondContact N-ND2 2.98Å; G26-N161 PolarHBondContact N-OD1 2.77Å; A157-N161 PolarHBondContact O-N 3.41Å; A157-N161 PolarHBondContact O-ND2 3.49Å; A157-N161 VanDerWaalsContact O-ND2 3.07Å; H158-N161 PolarHBondContact O-N 3.3Å; N161-K163 VanDerWaalsContact C-N 3.33Å; N161-K163 PolarHBondContact O-N 2.82Å; N161-M164 HydrophobicContact CB-CE 4.46Å; N161-M164 PolarHBondContact O-N 2.66Å; N161-M164 WeakPolarHBondContact OD1-CE 3.21Å; N161-A165 PolarHBondContact O-N 3.1Å; N161-S180 WeakPolarHBondContact OD1-CB 3.36Å; N161-S180 PolarHBondContact OD1-OG 3.38Å; N161-T182 WeakPolarHBondContact ND2-CG2 3.44Å; N161-T182 PolarHBondContact ND2-OG1 3.5Å; N161-Y377 HydrophobicContact CB-CD1 4.35Å; N161-Y377 HydrophobicContact CB-CE1 3.84Å
162	A	98.8	Very high	98.8	Very high	38 Å²	38	33 Å²	33	31%	0.314	18%	0.175	S	C	.	.	H	α-helix	trans	-62.4	-41.4	176.3	0	0	0	0	0	111.4	H158 K159 A165 E166 Y377	H158-A162 PolarHBondContact O-N 3.1Å; K159-A162 PolarHBondContact O-N 2.68Å; A162-A165 PolarHBondContact O-N 2.93Å; A162-E166 PolarHBondContact O-N 3.23Å; A162-Y377 HydrophobicContact CB-CD1 4.18Å; A162-Y377 HydrophobicContact CB-CE1 3.94Å
163	K	98.9	Very high	98.8	Very high	43 Å²	43	32.7 Å²	32.7	19%	0.187	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-41.5	176.8	-173.9	57.5	174.4	-178.9	0	112.4	K159 L160 N161 A165 E166 L167 V226 V230	K159-K163 WeakPolarHBondContact O-CB 3.35Å; K159-K163 PolarHBondContact O-N 2.91Å; L160-K163 PolarHBondContact O-N 3.41Å; N161-K163 VanDerWaalsContact C-N 3.33Å; N161-K163 PolarHBondContact O-N 2.82Å; K163-A165 VanDerWaalsContact C-N 3.34Å; K163-A165 PolarHBondContact O-N 3.31Å; K163-E166 VanDerWaalsContact CD-OE2 3.27Å; K163-E166 WeakPolarHBondContact CD-OE2 3.38Å; K163-E166 VanDerWaalsContact NZ-CD 3.27Å; K163-E166 IonicContact NZ-OE1 2.77Å; K163-E166 PolarHBondContact NZ-OE1 2.8Å; K163-E166 IonicContact NZ-OE2 2.98Å; K163-E166 PolarHBondContact NZ-OE2 3.18Å; K163-E166 VanDerWaalsContact NZ-OE2 3.1Å; K163-E166 WeakPolarHBondContact O-CB 3.19Å; K163-E166 PolarHBondContact O-N 2.74Å; K163-L167 HydrophobicContact CD-CD1 4.48Å; K163-L167 HydrophobicContact CD-CG 4.31Å; K163-L167 HydrophobicContact CG-CD1 4.27Å; K163-L167 WeakPolarHBondContact O-CG 3.47Å; K163-L167 PolarHBondContact O-N 2.85Å; K163-V226 HydrophobicContact CB-CG1 4.34Å; K163-V226 HydrophobicContact CG-CG1 4.37Å; K163-V230 HydrophobicContact CB-CG2 3.64Å; K163-V230 HydrophobicContact CG-CG2 3.97Å
164	M	98.9	Very high	98.8	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-41.4	173.8	-71	-174.3	-68.5	0	0	111.9	L160 N161 L167 R168 L176 T182 V205 V207 L222 V226	L160-M164 PolarHBondContact O-N 2.98Å; L160-M164 VanDerWaalsContact O-N 3.08Å; N161-M164 HydrophobicContact CB-CE 4.46Å; N161-M164 PolarHBondContact O-N 2.66Å; N161-M164 WeakPolarHBondContact OD1-CE 3.21Å; M164-L167 PolarHBondContact O-N 2.8Å; M164-R168 VanDerWaalsContact O-CB 3.25Å; M164-R168 WeakPolarHBondContact O-CB 3.35Å; M164-R168 PolarHBondContact O-N 3.34Å; M164-L176 HydrophobicContact CB-CD1 4.33Å; M164-L176 WeakPolarHBondContact O-CD1 3.3Å; M164-T182 HydrophobicContact CE-CG2 3.56Å; M164-V205 HydrophobicContact CE-CG1 4Å; M164-V205 HydrophobicContact SD-CG1 3.63Å; M164-V207 HydrophobicContact SD-CB 3.88Å; M164-V207 HydrophobicContact SD-CG1 4.12Å; M164-V207 HydrophobicContact SD-CG2 4.12Å; M164-L222 HydrophobicContact SD-CD2 3.98Å; M164-V226 HydrophobicContact CG-CB 4.5Å; M164-V226 HydrophobicContact CG-CG1 3.78Å; M164-V226 HydrophobicContact CG-CG2 3.9Å
165	A	98.9	Very high	98.8	Very high	8 Å²	8	37.7 Å²	37.7	7%	0.066	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-38.5	176.3	0	0	0	0	0	112.6	E27 N161 A162 K163 R169 Y377	E27-A165 WeakPolarHBondContact OE1-CB 3.32Å; N161-A165 PolarHBondContact O-N 3.1Å; A162-A165 PolarHBondContact O-N 2.93Å; K163-A165 VanDerWaalsContact C-N 3.34Å; K163-A165 PolarHBondContact O-N 3.31Å; A165-R169 WeakPolarHBondContact O-CB 3.14Å; A165-R169 VanDerWaalsContact O-CG 3.31Å; A165-R169 WeakPolarHBondContact O-CG 3.25Å; A165-R169 PolarHBondContact O-N 3.24Å; A165-Y377 VanDerWaalsContact CB-OH 3.29Å; A165-Y377 WeakPolarHBondContact CB-OH 3.37Å
166	E	98.9	Very high	98.8	Very high	95 Å²	95	37.3 Å²	37.3	44%	0.444	20%	0.2	S	C	.	.	H	α-helix	trans	-58.7	-54.2	173	-175.8	-156.1	132.5	0	0	111.1	A162 K163 R168 R169 N170	A162-E166 PolarHBondContact O-N 3.23Å; K163-E166 VanDerWaalsContact CD-OE2 3.27Å; K163-E166 WeakPolarHBondContact CD-OE2 3.38Å; K163-E166 VanDerWaalsContact NZ-CD 3.27Å; K163-E166 IonicContact NZ-OE1 2.77Å; K163-E166 PolarHBondContact NZ-OE1 2.8Å; K163-E166 IonicContact NZ-OE2 2.98Å; K163-E166 PolarHBondContact NZ-OE2 3.18Å; K163-E166 VanDerWaalsContact NZ-OE2 3.1Å; K163-E166 WeakPolarHBondContact O-CB 3.19Å; K163-E166 PolarHBondContact O-N 2.74Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 2.98Å; E166-R169 PolarHBondContact O-N 3.03Å; E166-N170 PolarHBondContact O-N 3.5Å; E166-N170 PolarHBondContact O-ND2 3Å; E166-N170 PolarHBondContact O-OD1 3.32Å
167	L	98.9	Very high	98.8	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-28.3	-178.3	-63.6	178.9	0	0	0	113.3	K163 M164 N170 G171 T172 L173 L176 Q225 V226	K163-L167 HydrophobicContact CD-CD1 4.48Å; K163-L167 HydrophobicContact CD-CG 4.31Å; K163-L167 HydrophobicContact CG-CD1 4.27Å; K163-L167 WeakPolarHBondContact O-CG 3.47Å; K163-L167 PolarHBondContact O-N 2.85Å; M164-L167 PolarHBondContact O-N 2.8Å; L167-N170 VanDerWaalsContact CA-OD1 3.26Å; L167-N170 WeakPolarHBondContact CA-OD1 3.49Å; L167-N170 PolarHBondContact O-OD1 3.32Å; L167-G171 PolarHBondContact O-N 3.45Å; L167-T172 HydrophobicContact CD2-CG2 4.05Å; L167-T172 PolarHBondContact O-N 3.14Å; L167-L173 HydrophobicContact CB-CB 4.22Å; L167-L173 HydrophobicContact CB-CD1 4.1Å; L167-L173 HydrophobicContact CB-CG 4.14Å; L167-L173 HydrophobicContact CD1-CD1 3.64Å; L167-L173 HydrophobicContact CD1-CG 4.26Å; L167-L173 PolarHBondContact O-N 2.84Å; L167-L176 HydrophobicContact CB-CD1 4.33Å; L167-Q225 HydrophobicContact CD1-CB 4.04Å; L167-V226 HydrophobicContact CD1-CG2 3.82Å
168	R	98.8	Very high	98.8	Very high	38 Å²	38	39.3 Å²	39.3	14%	0.143	21%	0.208	C	C	.	.	H	α-helix	trans	-69.6	-47.5	171.4	178.4	179.2	58.7	85.5	-6.7	111.2	I90 M164 E166 G171 L176	I90-R168 PolarHBondContact O-NH1 3.09Å; I90-R168 VanDerWaalsContact O-NH1 3.12Å; I90-R168 PolarHBondContact O-NH2 2.82Å; M164-R168 VanDerWaalsContact O-CB 3.25Å; M164-R168 WeakPolarHBondContact O-CB 3.35Å; M164-R168 PolarHBondContact O-N 3.34Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 2.98Å; R168-G171 PolarHBondContact O-N 2.75Å; R168-L176 HydrophobicContact CB-CB 3.84Å; R168-L176 HydrophobicContact CB-CD1 4.13Å; R168-L176 HydrophobicContact CG-CB 4.01Å
169	R	98.6	Very high	98.8	Very high	111 Å²	111	38.9 Å²	38.9	42%	0.419	21%	0.206	S	C	.	.	H	α-helix	trans	-72.6	-34.8	-175.2	-76.7	177	171.9	130.4	-0.3	112.9	E27 Y89 A165 E166 G171	E27-R169 VanDerWaalsContact CD-NH2 3.3Å; E27-R169 IonicContact OE1-CZ 3.24Å; E27-R169 VanDerWaalsContact OE1-CZ 3.28Å; E27-R169 IonicContact OE1-NH1 3.75Å; E27-R169 PolarHBondContact OE1-NH1 3.24Å; E27-R169 IonicContact OE1-NH2 2.97Å; E27-R169 PolarHBondContact OE1-NH2 3.4Å; E27-R169 VanDerWaalsContact OE1-NH2 3.14Å; E27-R169 IonicContact OE2-CZ 2.67Å; E27-R169 IonicContact OE2-NH1 3.17Å; E27-R169 PolarHBondContact OE2-NH1 2.88Å; E27-R169 IonicContact OE2-NH2 3Å; E27-R169 PolarHBondContact OE2-NH2 2.9Å; Y89-R169 PolarHBondContact O-NH2 3.48Å; A165-R169 WeakPolarHBondContact O-CB 3.14Å; A165-R169 VanDerWaalsContact O-CG 3.31Å; A165-R169 WeakPolarHBondContact O-CG 3.25Å; A165-R169 PolarHBondContact O-N 3.24Å; E166-R169 PolarHBondContact O-N 3.03Å; R169-G171 VanDerWaalsContact C-N 3.3Å
170	N	98.6	Very high	98.8	Very high	87 Å²	87	34.3 Å²	34.3	47%	0.465	19%	0.187	S	C	.	.	S	Bend	trans	-83.3	-6	178.2	71.9	10.6	0	0	0	113.6	E166 L167 T172	E166-N170 PolarHBondContact O-N 3.5Å; E166-N170 PolarHBondContact O-ND2 3Å; E166-N170 PolarHBondContact O-OD1 3.32Å; L167-N170 VanDerWaalsContact CA-OD1 3.26Å; L167-N170 WeakPolarHBondContact CA-OD1 3.49Å; L167-N170 PolarHBondContact O-OD1 3.32Å; N170-T172 VanDerWaalsContact C-N 3.35Å; N170-T172 VanDerWaalsContact OD1-CB 3.29Å; N170-T172 WeakPolarHBondContact OD1-CB 3.17Å; N170-T172 PolarHBondContact OD1-N 3.08Å; N170-T172 PolarHBondContact OD1-OG1 3.49Å
171	G	98.4	Very high	98.8	Very high	42 Å²	42	37.9 Å²	37.9	43%	0.433	20%	0.202	S	C	.	.	S	Bend	trans	81.5	4.4	177.1	0	0	0	0	0	115.3	L167 R168 R169 L173 P174	L167-G171 PolarHBondContact O-N 3.45Å; R168-G171 PolarHBondContact O-N 2.75Å; R169-G171 VanDerWaalsContact C-N 3.3Å; G171-L173 VanDerWaalsContact C-N 3.33Å; G171-L173 PolarHBondContact O-N 3.33Å; G171-P174 WeakPolarHBondContact O-CD 3.48Å
172	T	98.7	Very high	98.8	Very high	75 Å²	75	38 Å²	38	46%	0.46	20%	0.203	S	C	.	.	S	Bend	trans	-63	-40.2	175.9	-61.7	0	0	0	0	111.7	L167 N170 P174	L167-T172 HydrophobicContact CD2-CG2 4.05Å; L167-T172 PolarHBondContact O-N 3.14Å; N170-T172 VanDerWaalsContact C-N 3.35Å; N170-T172 VanDerWaalsContact OD1-CB 3.29Å; N170-T172 WeakPolarHBondContact OD1-CB 3.17Å; N170-T172 PolarHBondContact OD1-N 3.08Å; N170-T172 PolarHBondContact OD1-OG1 3.49Å; T172-P174 WeakPolarHBondContact O-CD 3.44Å
173	L	98.7	Very high	98.8	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	20%	0.204	C	C	.	.	S	Bend	trans	-120.9	76.9	173.9	-63.2	-179.4	0	0	0	109.3	L167 G171 W175 L176 A221 V226	L167-L173 HydrophobicContact CB-CB 4.22Å; L167-L173 HydrophobicContact CB-CD1 4.1Å; L167-L173 HydrophobicContact CB-CG 4.14Å; L167-L173 HydrophobicContact CD1-CD1 3.64Å; L167-L173 HydrophobicContact CD1-CG 4.26Å; L167-L173 PolarHBondContact O-N 2.84Å; G171-L173 VanDerWaalsContact C-N 3.33Å; G171-L173 PolarHBondContact O-N 3.33Å; L173-W175 HydrophobicContact CB-CZ2 4.37Å; L173-W175 HydrophobicContact CD1-CZ2 4.14Å; L173-W175 HydrophobicContact CD2-CZ2 4.12Å; L173-W175 HydrophobicContact CG-CZ2 4.45Å; L173-W175 PolarHBondContact O-N 2.86Å; L173-L176 HydrophobicContact CB-CD1 3.57Å; L173-L176 HydrophobicContact CB-CG 3.84Å; L173-L176 HydrophobicContact CD1-CD1 3.95Å; L173-L176 HydrophobicContact CG-CD1 4.41Å; L173-L176 WeakPolarHBondContact O-CB 3.5Å; L173-L176 PolarHBondContact O-N 3.12Å; L173-L176 VanDerWaalsContact O-N 3.17Å; L173-A221 HydrophobicContact CD1-CB 4.38Å; L173-A221 HydrophobicContact CD2-CB 3.92Å; L173-V226 HydrophobicContact CD1-CG2 4.48Å
174	P	98.5	Very high	98.8	Very high	87 Å²	87	37.5 Å²	37.5	57%	0.565	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.6	-169.3	30.6	-35.5	0	0	0	113.5	G171 T172 L176 R177	G171-P174 WeakPolarHBondContact O-CD 3.48Å; T172-P174 WeakPolarHBondContact O-CD 3.44Å; P174-L176 VanDerWaalsContact C-N 3.28Å; P174-R177 PolarHBondContact O-NH1 3.25Å
175	W	98.8	Very high	98.8	Very high	18 Å²	18	37.9 Å²	37.9	7%	0.068	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.3	175.2	54	-99.1	0	0	0	112.7	L173 R177 V207 H209 D210 I213 M218 A221 L222	L173-W175 HydrophobicContact CB-CZ2 4.37Å; L173-W175 HydrophobicContact CD1-CZ2 4.14Å; L173-W175 HydrophobicContact CD2-CZ2 4.12Å; L173-W175 HydrophobicContact CG-CZ2 4.45Å; L173-W175 PolarHBondContact O-N 2.86Å; W175-R177 PolarHBondContact O-NH1 3.12Å; W175-V207 HydrophobicContact CZ3-CG1 4.19Å; W175-H209 HydrophobicContact CE3-CB 3.77Å; W175-H209 HydrophobicContact CZ3-CB 4.17Å; W175-H209 WeakPolarHBondContact O-CA 3.45Å; W175-D210 VanDerWaalsContact CA-OD2 3.31Å; W175-D210 WeakPolarHBondContact CA-OD2 3.44Å; W175-D210 VanDerWaalsContact CB-OD2 3.29Å; W175-D210 WeakPolarHBondContact CB-OD2 3.33Å; W175-D210 PolarHBondContact O-N 3.4Å; W175-D210 VanDerWaalsContact O-N 3.09Å; W175-I213 HydrophobicContact CB-CB 3.93Å; W175-I213 HydrophobicContact CB-CG1 4.42Å; W175-I213 HydrophobicContact CB-CG2 3.91Å; W175-I213 HydrophobicContact CD2-CB 4.35Å; W175-I213 HydrophobicContact CD2-CG1 4.02Å; W175-I213 HydrophobicContact CD2-CG2 4.09Å; W175-I213 HydrophobicContact CE3-CG2 4.05Å; W175-I213 HydrophobicContact CG-CB 3.97Å; W175-I213 HydrophobicContact CG-CD1 4.18Å; W175-I213 HydrophobicContact CG-CG1 3.91Å; W175-I213 HydrophobicContact CG-CG2 4.06Å; W175-M218 HydrophobicContact CD2-CG 4.47Å; W175-M218 HydrophobicContact CE3-CG 4.07Å; W175-M218 HydrophobicContact CE3-SD 4.18Å; W175-M218 HydrophobicContact CH2-CB 4.05Å; W175-M218 HydrophobicContact CH2-CG 3.77Å; W175-M218 HydrophobicContact CH2-SD 4.44Å; W175-M218 HydrophobicContact CZ2-CG 4.19Å; W175-M218 HydrophobicContact CZ3-CB 4.38Å; W175-M218 HydrophobicContact CZ3-CG 3.69Å; W175-M218 HydrophobicContact CZ3-SD 3.83Å; W175-A221 HydrophobicContact CZ2-CB 3.98Å; W175-L222 HydrophobicContact CH2-CD2 4.35Å; W175-L222 HydrophobicContact CH2-CG 4.33Å
176	L	98.8	Very high	98.8	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	142.4	176.6	-70.9	173.9	0	0	0	111	M164 L167 R168 L173 P174 V207	M164-L176 HydrophobicContact CB-CD1 4.33Å; M164-L176 WeakPolarHBondContact O-CD1 3.3Å; L167-L176 HydrophobicContact CB-CD1 4.33Å; R168-L176 HydrophobicContact CB-CB 3.84Å; R168-L176 HydrophobicContact CB-CD1 4.13Å; R168-L176 HydrophobicContact CG-CB 4.01Å; L173-L176 HydrophobicContact CB-CD1 3.57Å; L173-L176 HydrophobicContact CB-CG 3.84Å; L173-L176 HydrophobicContact CD1-CD1 3.95Å; L173-L176 HydrophobicContact CG-CD1 4.41Å; L173-L176 WeakPolarHBondContact O-CB 3.5Å; L173-L176 PolarHBondContact O-N 3.12Å; L173-L176 VanDerWaalsContact O-N 3.17Å; P174-L176 VanDerWaalsContact C-N 3.28Å; L176-V207 HydrophobicContact CD2-CB 4.21Å; L176-V207 HydrophobicContact CD2-CG1 3.63Å; L176-V207 HydrophobicContact CD2-CG2 3.54Å
177	R	98.9	Very high	98.8	Very high	42 Å²	42	33.2 Å²	33.2	16%	0.158	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	166.6	170.6	-59	-66	-179.1	-101.1	5.5	110.1	P174 W175 D179 Q208	P174-R177 PolarHBondContact O-NH1 3.25Å; W175-R177 PolarHBondContact O-NH1 3.12Å; R177-D179 PolarHBondContact O-N 3.26Å; R177-Q208 HydrophobicContact CB-CB 3.78Å; R177-Q208 VanDerWaalsContact CB-CD 3.47Å; R177-Q208 HydrophobicContact CB-CG 3.64Å; R177-Q208 WeakPolarHBondContact CB-O 3.18Å; R177-Q208 VanDerWaalsContact CB-OE1 3.24Å; R177-Q208 HydrophobicContact CG-CG 4.1Å; R177-Q208 PolarHBondContact N-O 2.89Å
178	P	98.8	Very high	98.7	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-26.5	-168.1	-25.3	37.1	0	0	0	116.2	G28 I90 Y92	G28-P178 WeakPolarHBondContact CA-O 3.36Å; G28-P178 PolarHBondContact N-O 3.43Å; I90-P178 HydrophobicContact CG2-CB 3.93Å; Y92-P178 HydrophobicContact CD1-CG 4.28Å; Y92-P178 HydrophobicContact CD2-CB 4.23Å; Y92-P178 HydrophobicContact CD2-CG 4.25Å; Y92-P178 HydrophobicContact CE1-CB 4.47Å; Y92-P178 HydrophobicContact CE1-CG 4.17Å; Y92-P178 HydrophobicContact CE2-CB 3.77Å; Y92-P178 HydrophobicContact CE2-CG 4.14Å; Y92-P178 HydrophobicContact CG-CG 4.31Å
179	D	98.9	Very high	98.6	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.032	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.8	-179.4	-173.1	4.8	0	0	0	111.7	H29 Y92 R177 Q208 G254	H29-D179 WeakPolarHBondContact CA-OD1 3.47Å; H29-D179 IonicContact CD2-OD1 3.94Å; Y92-D179 WeakPolarHBondContact OH-CB 3.4Å; Y92-D179 PolarHBondContact OH-N 3.28Å; R177-D179 PolarHBondContact O-N 3.26Å; D179-Q208 HydrophobicContact CB-CB 3.96Å; D179-Q208 WeakPolarHBondContact O-CB 3.46Å; D179-Q208 PolarHBondContact O-N 2.93Å; D179-G254 PolarHBondContact OD2-N 3.21Å
180	S	98.9	Very high	98.4	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.028	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	151.9	178.8	67.6	0	0	0	0	112.1	V25 G26 N161 S206	V25-S180 CarbonylContact C-O 3.52Å; V25-S180 VanDerWaalsContact CA-O 3.23Å; V25-S180 WeakPolarHBondContact CA-O 3.5Å; V25-S180 WeakPolarHBondContact CB-O 3.28Å; G26-S180 WeakPolarHBondContact CA-OG 3.43Å; G26-S180 PolarHBondContact N-O 3.02Å; G26-S180 PolarHBondContact N-OG 2.94Å; N161-S180 WeakPolarHBondContact OD1-CB 3.36Å; N161-S180 PolarHBondContact OD1-OG 3.38Å; S180-S206 CarbonylContact C-O 3.59Å; S180-S206 WeakPolarHBondContact CA-O 3.48Å
181	K	98.9	Very high	98.2	Very high	74 Å²	74	35 Å²	35	32%	0.322	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.6	176.1	-47.6	-175.3	80.3	174.3	0	108.9	S24 V25 S206	S24-K181 WeakPolarHBondContact O-CA 3.17Å; V25-K181 HydrophobicContact CG1-CB 4.24Å; V25-K181 HydrophobicContact CG1-CD 4.5Å; V25-K181 HydrophobicContact CG1-CG 3.93Å; K181-S206 PolarHBondContact N-O 3.43Å; K181-S206 PolarHBondContact O-N 3.37Å
182	T	98.9	Very high	98	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	144.9	177.2	64.1	0	0	0	0	109.9	E23 S24 A157 L160 N161 M164 V204 V205	E23-T182 CarbonylContact C-O 3.52Å; E23-T182 VanDerWaalsContact CA-O 3.27Å; E23-T182 WeakPolarHBondContact CA-O 3.38Å; S24-T182 PolarHBondContact N-O 2.91Å; S24-T182 PolarHBondContact O-N 3.36Å; S24-T182 VanDerWaalsContact O-O 3.12Å; A157-T182 PolarHBondContact O-OG1 3.35Å; L160-T182 HydrophobicContact CB-CG2 3.75Å; L160-T182 HydrophobicContact CD1-CG2 4.49Å; N161-T182 WeakPolarHBondContact ND2-CG2 3.44Å; N161-T182 PolarHBondContact ND2-OG1 3.5Å; M164-T182 HydrophobicContact CE-CG2 3.56Å; T182-V204 CarbonylContact C-O 3.45Å; T182-V204 WeakPolarHBondContact CA-O 3.25Å; T182-V205 HydrophobicContact CG2-CG1 4.33Å; T182-V205 HydrophobicContact CG2-CG2 4.32Å
183	Q	98.9	Very high	97.9	Very high	72 Å²	72	40 Å²	40	34%	0.336	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.3	174.9	-171.8	178.9	-79.8	0	0	109.1	T21 S22 E23 V204	T21-Q183 VanDerWaalsContact CG2-CD 3.43Å; T21-Q183 HydrophobicContact CG2-CG 3.25Å; S22-Q183 WeakPolarHBondContact O-CA 3.39Å; E23-Q183 HydrophobicContact CB-CB 4.23Å; E23-Q183 HydrophobicContact CB-CG 4.18Å; Q183-V204 HydrophobicContact CB-CB 3.92Å; Q183-V204 HydrophobicContact CB-CG2 4.06Å; Q183-V204 PolarHBondContact N-O 2.88Å; Q183-V204 PolarHBondContact O-N 3.49Å
184	V	98.9	Very high	97.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.7	-179	-174.8	0	0	0	0	108.8	T21 S22 L156 A157 L160 V186 V200 T202	T21-V184 WeakPolarHBondContact CA-O 3.4Å; S22-V184 PolarHBondContact N-O 3.38Å; S22-V184 PolarHBondContact O-N 3.37Å; L156-V184 HydrophobicContact CB-CG1 4.26Å; L156-V184 HydrophobicContact CB-CG2 4.1Å; L156-V184 HydrophobicContact CD1-CG1 4.16Å; A157-V184 HydrophobicContact CB-CG2 4.1Å; L160-V184 HydrophobicContact CD1-CG2 3.69Å; V184-V186 HydrophobicContact CG1-CG2 4Å; V184-V200 HydrophobicContact CG1-CG1 4.03Å; V184-V200 HydrophobicContact CG1-CG2 4.46Å; V184-T202 WeakPolarHBondContact CA-O 3.36Å
185	T	98.9	Very high	97.8	Very high	12 Å²	12	35.9 Å²	35.9	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.9	171.7	-54.7	0	0	0	0	108.5	L19 F20 T21 H201 T202	L19-T185 HydrophobicContact CB-CG2 3.93Å; L19-T185 HydrophobicContact CD1-CG2 4.31Å; L19-T185 HydrophobicContact CD2-CG2 4.42Å; L19-T185 HydrophobicContact CG-CG2 4.45Å; F20-T185 CarbonylContact O-C 3.51Å; F20-T185 VanDerWaalsContact O-CA 3.29Å; F20-T185 WeakPolarHBondContact O-CA 3.16Å; T21-T185 WeakPolarHBondContact CG2-OG1 3.32Å; T21-T185 WeakPolarHBondContact OG1-CB 3.25Å; T21-T185 WeakPolarHBondContact OG1-CG2 3.44Å; T21-T185 PolarHBondContact OG1-OG1 2.84Å; T185-H201 HydrophobicContact CG2-CB 4.14Å; T185-H201 PolarHBondContact O-N 2.92Å; T185-T202 PolarHBondContact N-O 3.42Å; T185-T202 PolarHBondContact O-N 3.13Å
186	V	98.7	Very high	97.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.5	178.3	173.5	0	0	0	0	108.8	L19 F20 T153 V184 Y188 P197 R199 V200	L19-V186 WeakPolarHBondContact CA-O 3.47Å; F20-V186 PolarHBondContact N-O 3.39Å; F20-V186 PolarHBondContact O-N 2.94Å; T153-V186 HydrophobicContact CG2-CB 3.65Å; T153-V186 HydrophobicContact CG2-CG2 3.59Å; V184-V186 HydrophobicContact CG1-CG2 4Å; V186-Y188 HydrophobicContact CB-CD2 4.04Å; V186-Y188 HydrophobicContact CB-CE2 3.47Å; V186-Y188 VanDerWaalsContact CB-CE2 3.47Å; V186-Y188 HydrophobicContact CG1-CD2 3.78Å; V186-Y188 HydrophobicContact CG1-CE1 4.35Å; V186-Y188 HydrophobicContact CG1-CE2 3.42Å; V186-Y188 VanDerWaalsContact CG1-CE2 3.42Å; V186-Y188 HydrophobicContact CG1-CG 4.37Å; V186-Y188 WeakPolarHBondContact O-CD2 3.46Å; V186-P197 HydrophobicContact CG1-CB 4.02Å; V186-R199 WeakPolarHBondContact CA-O 3.5Å; V186-R199 WeakPolarHBondContact CG1-O 3.48Å; V186-V200 HydrophobicContact CG2-CG2 4.36Å
187	Q	98.3	Very high	97.7	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.2	167.9	-177.3	178	-9.5	0	0	109	C17 F18 L19 V198 R199	C17-Q187 HydrophobicContact CB-CG 3.88Å; F18-Q187 CarbonylContact O-C 3.59Å; F18-Q187 WeakPolarHBondContact O-CA 3.34Å; L19-Q187 HydrophobicContact CD2-CB 3.75Å; L19-Q187 HydrophobicContact CD2-CG 4.16Å; Q187-V198 WeakPolarHBondContact O-CB 3.4Å; Q187-V198 PolarHBondContact O-N 3.19Å; Q187-R199 HydrophobicContact CB-CG 3.93Å; Q187-R199 PolarHBondContact N-O 2.95Å
188	Y	97.9	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149	-178	-76.8	-90.5	0	0	0	111.1	C17 F18 F20 E145 T153 V186 M195 L196 P197 W274	C17-Y188 CarbonylContact C-O 3.58Å; C17-Y188 WeakPolarHBondContact CA-O 3.28Å; C17-Y188 WeakPolarHBondContact CB-O 3.33Å; F18-Y188 HydrophobicContact CE2-CD2 4.4Å; F18-Y188 HydrophobicContact CE2-CG 4.44Å; F18-Y188 VanDerWaalsContact CZ-CB 3.42Å; F18-Y188 HydrophobicContact CZ-CD2 4.48Å; F18-Y188 HydrophobicContact CZ-CG 4.08Å; F18-Y188 PolarHBondContact N-O 3.16Å; F18-Y188 PolarHBondContact O-N 3.44Å; F20-Y188 HydrophobicContact CB-CD2 4.03Å; F20-Y188 HydrophobicContact CB-CE2 4Å; E145-Y188 VanDerWaalsContact OE1-CE1 3.3Å; E145-Y188 WeakPolarHBondContact OE1-CE1 3.38Å; E145-Y188 PolarHBondContact OE1-OH 2.89Å; T153-Y188 HydrophobicContact CG2-CE2 3.82Å; V186-Y188 HydrophobicContact CB-CD2 4.04Å; V186-Y188 HydrophobicContact CB-CE2 3.47Å; V186-Y188 VanDerWaalsContact CB-CE2 3.47Å; V186-Y188 HydrophobicContact CG1-CD2 3.78Å; V186-Y188 HydrophobicContact CG1-CE1 4.35Å; V186-Y188 HydrophobicContact CG1-CE2 3.42Å; V186-Y188 VanDerWaalsContact CG1-CE2 3.42Å; V186-Y188 HydrophobicContact CG1-CG 4.37Å; V186-Y188 WeakPolarHBondContact O-CD2 3.46Å; Y188-M195 HydrophobicContact CD1-CB 3.85Å; Y188-M195 HydrophobicContact CE1-CB 4.07Å; Y188-L196 WeakPolarHBondContact CA-O 3.12Å; Y188-P197 HydrophobicContact CD1-CB 4.4Å; Y188-P197 HydrophobicContact CD1-CG 4.29Å; Y188-P197 HydrophobicContact CE1-CB 4.04Å; Y188-P197 HydrophobicContact CE1-CG 3.69Å; Y188-W274 HydrophobicContact CD2-CZ2 4.15Å; Y188-W274 HydrophobicContact CE1-CZ2 4.4Å; Y188-W274 AromaticContact CE2-CZ2 3.73Å; Y188-W274 HydrophobicContact CE2-CZ2 3.73Å; Y188-W274 AromaticContact CZ-CZ2 3.88Å
189	R	97.1	Very high	97.6	Very high	102 Å²	102	40.7 Å²	40.7	39%	0.385	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.3	161.7	-170.3	177.9	-62	128.8	2.7	109.1	D14 L196 V198	D14-R189 IonicContact OD2-NH2 3.39Å; R189-L196 PolarHBondContact N-O 2.83Å; R189-L196 PolarHBondContact O-N 3.06Å; R189-V198 HydrophobicContact CB-CG2 4.08Å
190	Q	94.9	Very high	97.6	Very high	117 Å²	117	40.4 Å²	40.4	55%	0.547	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.1	174.1	178.9	170.6	-18.4	0	0	110.7	M195	Q190-M195 HydrophobicContact CB-CE 3.81Å; Q190-M195 HydrophobicContact CG-CE 3.62Å
191	D	94.3	Very high	97.5	Very high	62 Å²	62	40.9 Å²	40.9	33%	0.332	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	98.8	171.9	175.4	31.7	0	0	0	109.7	G193 A194 L196	D191-G193 PolarHBondContact O-N 3.29Å; D191-A194 PolarHBondContact N-O 3.17Å; D191-A194 WeakPolarHBondContact O-CB 3.43Å; D191-A194 PolarHBondContact O-N 3.24Å; D191-L196 HydrophobicContact CB-CD1 3.69Å; D191-L196 HydrophobicContact CB-CG 4.12Å
192	R	93.6	Very high	97.5	Very high	222 Å²	222	38 Å²	38	84%	0.838	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	38.2	178.5	-58.7	178.9	-176.6	-175.5	1.3	113.4
193	G	95.9	Very high	97.5	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-11.8	179.7	0	0	0	0	0	115.5	D191 R313 Y335	D191-G193 PolarHBondContact O-N 3.29Å; G193-R313 PolarHBondContact O-NE 3.05Å; G193-R313 PolarHBondContact O-NH2 3.16Å; G193-Y335 WeakPolarHBondContact CA-O 3.31Å
194	A	97.3	Very high	97.5	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	156.4	167.2	0	0	0	0	0	110.5	D191 K312 T337	D191-A194 PolarHBondContact N-O 3.17Å; D191-A194 WeakPolarHBondContact O-CB 3.43Å; D191-A194 PolarHBondContact O-N 3.24Å; A194-K312 HydrophobicContact CB-CB 3.94Å; A194-K312 HydrophobicContact CB-CD 3.79Å; A194-T337 HydrophobicContact CB-CG2 4.22Å
195	M	97.4	Very high	97.5	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.7	-174.4	-56.3	-70.2	85.9	0	0	110.1	F18 E145 Y188 Q190 W274 R313	F18-M195 HydrophobicContact CE1-CE 4.49Å; F18-M195 HydrophobicContact CE1-SD 4.05Å; F18-M195 HydrophobicContact CZ-CE 4.49Å; F18-M195 HydrophobicContact CZ-SD 3.51Å; F18-M195 VanDerWaalsContact CZ-SD 3.51Å; E145-M195 WeakPolarHBondContact CB-O 3.35Å; Y188-M195 HydrophobicContact CD1-CB 3.85Å; Y188-M195 HydrophobicContact CE1-CB 4.07Å; Q190-M195 HydrophobicContact CB-CE 3.81Å; Q190-M195 HydrophobicContact CG-CE 3.62Å; M195-W274 HydrophobicContact CG-CH2 3.92Å; M195-W274 HydrophobicContact CG-CZ3 3.88Å; M195-W274 HydrophobicContact SD-CH2 3.7Å; M195-W274 HydrophobicContact SD-CZ3 3.69Å; M195-R313 VanDerWaalsContact CG-NH1 3.34Å; M195-R313 PolarHBondContact SD-NH1 3.4Å
196	L	97.8	Very high	97.5	Very high	77 Å²	77	36.3 Å²	36.3	40%	0.403	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109.6	177.6	-60.8	178.5	0	0	0	109.6	Y188 R189 D191 V198	Y188-L196 WeakPolarHBondContact CA-O 3.12Å; R189-L196 PolarHBondContact N-O 2.83Å; R189-L196 PolarHBondContact O-N 3.06Å; D191-L196 HydrophobicContact CB-CD1 3.69Å; D191-L196 HydrophobicContact CB-CG 4.12Å; L196-V198 PolarHBondContact O-N 3.12Å
197	P	97.9	Very high	97.5	Very high	24 Å²	24	36.4 Å²	36.4	16%	0.156	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	127	172.9	-15.2	26.3	0	0	0	110.6	E145 L152 V186 Y188 Y235	E145-P197 HydrophobicContact CB-CG 4.22Å; L152-P197 HydrophobicContact CB-CG 4.11Å; L152-P197 HydrophobicContact CD2-CB 3.51Å; L152-P197 HydrophobicContact CD2-CG 3.81Å; V186-P197 HydrophobicContact CG1-CB 4.02Å; Y188-P197 HydrophobicContact CD1-CB 4.4Å; Y188-P197 HydrophobicContact CD1-CG 4.29Å; Y188-P197 HydrophobicContact CE1-CB 4.04Å; Y188-P197 HydrophobicContact CE1-CG 3.69Å; P197-Y235 HydrophobicContact CB-CE1 4.17Å
198	V	97.8	Very high	97.5	Very high	47 Å²	47	36.2 Å²	36.2	29%	0.285	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-55.2	179.9	-178.7	0	0	0	0	110.5	Q187 R189 L196	Q187-V198 WeakPolarHBondContact O-CB 3.4Å; Q187-V198 PolarHBondContact O-N 3.19Å; R189-V198 HydrophobicContact CB-CG2 4.08Å; L196-V198 PolarHBondContact O-N 3.12Å
199	R	97.9	Very high	97.6	Very high	20 Å²	20	36.5 Å²	36.5	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	160.5	-178.8	59.4	173.2	-68.4	-91.9	4.8	111.8	V186 Q187 H201 D237 D239 T240	V186-R199 WeakPolarHBondContact CA-O 3.5Å; V186-R199 WeakPolarHBondContact CG1-O 3.48Å; Q187-R199 HydrophobicContact CB-CG 3.93Å; Q187-R199 PolarHBondContact N-O 2.95Å; R199-H201 PolarHBondContact O-N 2.8Å; R199-D237 VanDerWaalsContact CD-OD2 3.29Å; R199-D237 WeakPolarHBondContact CD-OD2 3.34Å; R199-D237 IonicContact CZ-OD1 3.27Å; R199-D237 IonicContact CZ-OD2 3.42Å; R199-D237 IonicContact NE-OD1 2.71Å; R199-D237 PolarHBondContact NE-OD1 3.44Å; R199-D237 IonicContact NE-OD2 3.29Å; R199-D237 PolarHBondContact NE-OD2 2.91Å; R199-D237 IonicContact NH2-OD1 3.23Å; R199-D237 PolarHBondContact NH2-OD1 3.08Å; R199-D237 IonicContact NH2-OD2 2.74Å; R199-D239 PolarHBondContact NH2-O 3.15Å; R199-T240 VanDerWaalsContact NH2-CA 3.32Å; R199-T240 VanDerWaalsContact NH2-N 3.1Å
200	V	98.6	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.5	167.5	178.7	0	0	0	0	108.8	L156 V184 V186 V203 V231 Y235 L236 T240	L156-V200 HydrophobicContact CD1-CG2 3.99Å; V184-V200 HydrophobicContact CG1-CG1 4.03Å; V184-V200 HydrophobicContact CG1-CG2 4.46Å; V186-V200 HydrophobicContact CG2-CG2 4.36Å; V200-V203 HydrophobicContact CG1-CG2 3.49Å; V200-V203 VanDerWaalsContact CG1-CG2 3.49Å; V200-V231 HydrophobicContact CG2-CG1 3.65Å; V200-Y235 WeakPolarHBondContact CB-O 3.44Å; V200-Y235 PolarHBondContact N-O 3.45Å; V200-L236 HydrophobicContact CB-CD2 4.2Å; V200-T240 HydrophobicContact CG1-CG2 4.27Å; V200-T240 WeakPolarHBondContact O-CG2 3.25Å; V200-T240 PolarHBondContact O-OG1 3.24Å
201	H	98.1	Very high	97.8	Very high	14 Å²	14	34.5 Å²	34.5	7%	0.065	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-46.3	177.7	178.7	-76.9	0	0	0	111.8	L19 T185 R199 I241	L19-H201 HydrophobicContact CD2-CB 3.87Å; T185-H201 HydrophobicContact CG2-CB 4.14Å; T185-H201 PolarHBondContact O-N 2.92Å; R199-H201 PolarHBondContact O-N 2.8Å; H201-I241 PolarHBondContact O-N 2.83Å
202	T	98.7	Very high	98	Very high	15 Å²	15	37.7 Å²	37.7	9%	0.092	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	138.5	-177.2	-55.9	0	0	0	0	111.8	V184 T185 V204 I241	V184-T202 WeakPolarHBondContact CA-O 3.36Å; T185-T202 PolarHBondContact N-O 3.42Å; T185-T202 PolarHBondContact O-N 3.13Å; T202-V204 HydrophobicContact CG2-CG2 4.29Å; T202-I241 CarbonylContact C-O 3.53Å; T202-I241 VanDerWaalsContact CA-O 3.3Å; T202-I241 WeakPolarHBondContact CA-O 3.29Å; T202-I241 HydrophobicContact CG2-CB 4.21Å; T202-I241 HydrophobicContact CG2-CG2 4.25Å
203	V	98.8	Very high	98.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.6	169.3	-175.2	0	0	0	0	109.3	L160 V200 V205 V227 I241 Y242 H243	L160-V203 HydrophobicContact CD1-CG1 4Å; V200-V203 HydrophobicContact CG1-CG2 3.49Å; V200-V203 VanDerWaalsContact CG1-CG2 3.49Å; V203-V205 HydrophobicContact CG1-CG2 4.04Å; V203-V227 HydrophobicContact CG1-CG1 4.4Å; V203-V227 HydrophobicContact CG1-CG2 3.91Å; V203-V227 HydrophobicContact CG2-CG1 4.3Å; V203-I241 PolarHBondContact N-O 3Å; V203-Y242 HydrophobicContact CB-CD1 4.32Å; V203-H243 PolarHBondContact O-N 3.29Å
204	V	98.9	Very high	98.3	Very high	29 Å²	29	31.4 Å²	31.4	18%	0.176	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.6	170.4	-170.2	0	0	0	0	108.7	T182 Q183 T202 H243 P246	T182-V204 CarbonylContact C-O 3.45Å; T182-V204 WeakPolarHBondContact CA-O 3.25Å; Q183-V204 HydrophobicContact CB-CB 3.92Å; Q183-V204 HydrophobicContact CB-CG2 4.06Å; Q183-V204 PolarHBondContact N-O 2.88Å; Q183-V204 PolarHBondContact O-N 3.49Å; T202-V204 HydrophobicContact CG2-CG2 4.29Å; V204-H243 WeakPolarHBondContact CA-O 3.49Å; V204-H243 HydrophobicContact CB-CB 4.36Å; V204-H243 HydrophobicContact CG1-CB 4.12Å; V204-H243 HydrophobicContact CG2-CB 4.12Å; V204-P246 HydrophobicContact CG1-CG 4.21Å
205	V	98.9	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.3	170.8	-174.8	0	0	0	0	109	M164 T182 V203 L222 V227 H243 L244 Q245 P246	M164-V205 HydrophobicContact CE-CG1 4Å; M164-V205 HydrophobicContact SD-CG1 3.63Å; T182-V205 HydrophobicContact CG2-CG1 4.33Å; T182-V205 HydrophobicContact CG2-CG2 4.32Å; V203-V205 HydrophobicContact CG1-CG2 4.04Å; V205-L222 HydrophobicContact CG1-CD1 4.28Å; V205-L222 HydrophobicContact CG1-CD2 3.93Å; V205-V227 HydrophobicContact CG2-CG2 4.36Å; V205-H243 PolarHBondContact N-O 2.83Å; V205-L244 HydrophobicContact CB-CD2 3.85Å; V205-L244 HydrophobicContact CG2-CD2 3.76Å; V205-Q245 PolarHBondContact O-N 3.12Å; V205-P246 WeakPolarHBondContact O-CD 3.45Å
206	S	98.9	Very high	98.4	Very high	22 Å²	22	38.5 Å²	38.5	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.2	169	-62.4	0	0	0	0	108.2	S180 K181 P246	S180-S206 CarbonylContact C-O 3.59Å; S180-S206 WeakPolarHBondContact CA-O 3.48Å; K181-S206 PolarHBondContact N-O 3.43Å; K181-S206 PolarHBondContact O-N 3.37Å; S206-P246 WeakPolarHBondContact OG-CD 3.42Å
207	V	98.9	Very high	98.4	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.9	179.5	60.4	0	0	0	0	110	M164 W175 L176 L222 Q245	M164-V207 HydrophobicContact SD-CB 3.88Å; M164-V207 HydrophobicContact SD-CG1 4.12Å; M164-V207 HydrophobicContact SD-CG2 4.12Å; W175-V207 HydrophobicContact CZ3-CG1 4.19Å; L176-V207 HydrophobicContact CD2-CB 4.21Å; L176-V207 HydrophobicContact CD2-CG1 3.63Å; L176-V207 HydrophobicContact CD2-CG2 3.54Å; V207-L222 HydrophobicContact CG1-CD1 4.3Å; V207-L222 HydrophobicContact CG1-CD2 3.96Å; V207-Q245 PolarHBondContact O-NE2 3.24Å; V207-Q245 PolarHBondContact O-OE1 2.83Å
208	Q	98.9	Very high	98.5	Very high	2 Å²	2	39 Å²	39	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	139	174.5	-174.7	-162.7	13.4	0	0	109.1	Y92 K97 R177 D179 F250 V251	Y92-Q208 PolarHBondContact OH-OE1 2.97Å; K97-Q208 PolarHBondContact O-NE2 3.33Å; R177-Q208 HydrophobicContact CB-CB 3.78Å; R177-Q208 VanDerWaalsContact CB-CD 3.47Å; R177-Q208 HydrophobicContact CB-CG 3.64Å; R177-Q208 WeakPolarHBondContact CB-O 3.18Å; R177-Q208 VanDerWaalsContact CB-OE1 3.24Å; R177-Q208 HydrophobicContact CG-CG 4.1Å; R177-Q208 PolarHBondContact N-O 2.89Å; D179-Q208 HydrophobicContact CB-CB 3.96Å; D179-Q208 WeakPolarHBondContact O-CB 3.46Å; D179-Q208 PolarHBondContact O-N 2.93Å; Q208-F250 WeakPolarHBondContact CA-O 3.45Å; Q208-F250 WeakPolarHBondContact CG-O 3.5Å; Q208-V251 WeakPolarHBondContact CG-O 3.32Å; Q208-V251 PolarHBondContact NE2-O 3.47Å
209	H	98.8	Very high	98.5	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	167.5	-176.4	62.6	89.8	0	0	0	112.1	W175 I213 M218 Q245 F250 V251	W175-H209 HydrophobicContact CE3-CB 3.77Å; W175-H209 HydrophobicContact CZ3-CB 4.17Å; W175-H209 WeakPolarHBondContact O-CA 3.45Å; H209-I213 HydrophobicContact CB-CG2 3.97Å; H209-M218 HydrophobicContact CB-SD 3.69Å; H209-M218 VanDerWaalsContact CD2-SD 3.53Å; H209-Q245 PolarHBondContact CD2-NE2 3.28Å; H209-F250 PolarHBondContact CD2-O 3.31Å; H209-F250 PolarHBondContact N-O 2.61Å; H209-F250 PolarHBondContact NE2-N 2.99Å; H209-V251 WeakPolarHBondContact O-CA 3.31Å
210	D	98.4	Very high	98.5	Very high	34 Å²	34	44.3 Å²	44.3	18%	0.182	23%	0.234	C	C	.	.			trans	-73.6	174.3	172.4	72.8	28.2	0	0	0	113.2	W175 V212 I213	W175-D210 VanDerWaalsContact CA-OD2 3.31Å; W175-D210 WeakPolarHBondContact CA-OD2 3.44Å; W175-D210 VanDerWaalsContact CB-OD2 3.29Å; W175-D210 WeakPolarHBondContact CB-OD2 3.33Å; W175-D210 PolarHBondContact O-N 3.4Å; W175-D210 VanDerWaalsContact O-N 3.09Å; D210-V212 VanDerWaalsContact C-N 3.27Å; D210-V212 PolarHBondContact O-N 2.86Å; D210-V212 PolarHBondContact OD1-N 3.33Å; D210-I213 PolarHBondContact OD1-N 3.03Å
211	E	97.8	Very high	98.5	Very high	143 Å²	143	44.8 Å²	44.8	67%	0.668	24%	0.237	S	C	*	.	S	Bend	trans	-76	-13.2	-177.7	-64.2	-165.5	157.1	0	0	114.5	V251	E211-V251 HydrophobicContact CG-CG1 3.72Å; E211-V251 HydrophobicContact CG-CG2 4.35Å
212	V	97.8	Very high	98.6	Very high	129 Å²	129	44.1 Å²	44.1	78%	0.782	23%	0.234	S	C	*	.	S	Bend	trans	-96.3	-41.7	-164.5	-176.8	0	0	0	0	111.6	D210 C214	D210-V212 VanDerWaalsContact C-N 3.27Å; D210-V212 PolarHBondContact O-N 2.86Å; D210-V212 PolarHBondContact OD1-N 3.33Å; V212-C214 PolarHBondContact O-N 3.45Å
213	I	98.3	Very high	98.6	Very high	33 Å²	33	46.9 Å²	46.9	17%	0.169	25%	0.245	C	C	.	.	S	Bend	trans	-63.2	134.3	-176.9	-167.9	72.6	0	0	0	111.4	W175 H209 D210 E217 M218	W175-I213 HydrophobicContact CB-CB 3.93Å; W175-I213 HydrophobicContact CB-CG1 4.42Å; W175-I213 HydrophobicContact CB-CG2 3.91Å; W175-I213 HydrophobicContact CD2-CB 4.35Å; W175-I213 HydrophobicContact CD2-CG1 4.02Å; W175-I213 HydrophobicContact CD2-CG2 4.09Å; W175-I213 HydrophobicContact CE3-CG2 4.05Å; W175-I213 HydrophobicContact CG-CB 3.97Å; W175-I213 HydrophobicContact CG-CD1 4.18Å; W175-I213 HydrophobicContact CG-CG1 3.91Å; W175-I213 HydrophobicContact CG-CG2 4.06Å; H209-I213 HydrophobicContact CB-CG2 3.97Å; D210-I213 PolarHBondContact OD1-N 3.03Å; I213-E217 HydrophobicContact CD1-CB 3.88Å; I213-E217 WeakPolarHBondContact CD1-OE2 3.38Å; I213-E217 HydrophobicContact CG1-CB 4.35Å; I213-M218 HydrophobicContact CB-CG 4.28Å; I213-M218 HydrophobicContact CG1-CG 3.57Å; I213-M218 HydrophobicContact CG2-CE 4.28Å; I213-M218 HydrophobicContact CG2-CG 3.71Å; I213-M218 HydrophobicContact CG2-SD 3.64Å
214	C	98.2	Very high	98.6	Very high	59 Å²	59	51.5 Å²	51.5	40%	0.399	27%	0.267	S	S	.	.			trans	-86.2	160	178.5	80	0	0	0	0	112.2	V212 D216 E217 M218	V212-C214 PolarHBondContact O-N 3.45Å; C214-D216 PolarHBondContact O-N 3.46Å; C214-E217 PolarHBondContact O-N 3.21Å; C214-E217 WeakPolarHBondContact SG-CG 3.45Å; C214-E217 PolarHBondContact SG-OE2 2.93Å; C214-M218 WeakPolarHBondContact O-CG 3.26Å; C214-M218 PolarHBondContact O-N 3.22Å; C214-M218 VanDerWaalsContact O-N 3.14Å
215	L	98.3	Very high	98.6	Very high	47 Å²	47	53.8 Å²	53.8	25%	0.246	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-38.1	-171.9	-178	58.1	0	0	0	113.5	M218 R219 Q245	L215-M218 HydrophobicContact CB-CE 4.46Å; L215-M218 HydrophobicContact CD1-CE 4.06Å; L215-M218 PolarHBondContact O-N 3.43Å; L215-R219 HydrophobicContact CD1-CG 4.4Å; L215-R219 VanDerWaalsContact O-CG 3.3Å; L215-R219 WeakPolarHBondContact O-CG 3.46Å; L215-R219 PolarHBondContact O-N 3.26Å; L215-Q245 HydrophobicContact CD1-CB 3.55Å; L215-Q245 HydrophobicContact CD1-CG 4.34Å
216	D	98.4	Very high	98.6	Very high	106 Å²	106	53.8 Å²	53.8	57%	0.567	28%	0.276	S	S	*	.	H	α-helix	trans	-71	-43.2	-177.5	-65.9	-29.4	0	0	0	111.2	C214 M218 R219 D220	C214-D216 PolarHBondContact O-N 3.46Å; D216-M218 VanDerWaalsContact C-N 3.31Å; D216-M218 PolarHBondContact O-N 2.8Å; D216-R219 PolarHBondContact O-N 3.36Å; D216-R219 VanDerWaalsContact O-N 3.13Å; D216-D220 PolarHBondContact O-N 3.23Å
217	E	98.5	Very high	98.5	Very high	110 Å²	110	52.8 Å²	52.8	51%	0.514	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-40.5	173.7	-71.8	172	152	0	0	112.1	I213 C214 A221	I213-E217 HydrophobicContact CD1-CB 3.88Å; I213-E217 WeakPolarHBondContact CD1-OE2 3.38Å; I213-E217 HydrophobicContact CG1-CB 4.35Å; C214-E217 PolarHBondContact O-N 3.21Å; C214-E217 WeakPolarHBondContact SG-CG 3.45Å; C214-E217 PolarHBondContact SG-OE2 2.93Å; E217-A221 VanDerWaalsContact O-CB 3.31Å; E217-A221 WeakPolarHBondContact O-CB 3.45Å; E217-A221 PolarHBondContact O-N 3.15Å
218	M	98.7	Very high	98.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-46.6	174	-73.3	-168.6	-75.6	0	0	111.6	W175 H209 I213 C214 L215 D216 D220 A221 L222 Q245	W175-M218 HydrophobicContact CD2-CG 4.47Å; W175-M218 HydrophobicContact CE3-CG 4.07Å; W175-M218 HydrophobicContact CE3-SD 4.18Å; W175-M218 HydrophobicContact CH2-CB 4.05Å; W175-M218 HydrophobicContact CH2-CG 3.77Å; W175-M218 HydrophobicContact CH2-SD 4.44Å; W175-M218 HydrophobicContact CZ2-CG 4.19Å; W175-M218 HydrophobicContact CZ3-CB 4.38Å; W175-M218 HydrophobicContact CZ3-CG 3.69Å; W175-M218 HydrophobicContact CZ3-SD 3.83Å; H209-M218 HydrophobicContact CB-SD 3.69Å; H209-M218 VanDerWaalsContact CD2-SD 3.53Å; I213-M218 HydrophobicContact CB-CG 4.28Å; I213-M218 HydrophobicContact CG1-CG 3.57Å; I213-M218 HydrophobicContact CG2-CE 4.28Å; I213-M218 HydrophobicContact CG2-CG 3.71Å; I213-M218 HydrophobicContact CG2-SD 3.64Å; C214-M218 WeakPolarHBondContact O-CG 3.26Å; C214-M218 PolarHBondContact O-N 3.22Å; C214-M218 VanDerWaalsContact O-N 3.14Å; L215-M218 HydrophobicContact CB-CE 4.46Å; L215-M218 HydrophobicContact CD1-CE 4.06Å; L215-M218 PolarHBondContact O-N 3.43Å; D216-M218 VanDerWaalsContact C-N 3.31Å; D216-M218 PolarHBondContact O-N 2.8Å; M218-D220 PolarHBondContact O-N 2.91Å; M218-A221 PolarHBondContact O-N 3.06Å; M218-L222 WeakPolarHBondContact O-CB 3.26Å; M218-L222 WeakPolarHBondContact O-CD1 3.38Å; M218-L222 WeakPolarHBondContact O-CG 3.33Å; M218-L222 PolarHBondContact O-N 3.38Å; M218-Q245 HydrophobicContact CB-CG 4.23Å; M218-Q245 HydrophobicContact CE-CG 4.37Å; M218-Q245 HydrophobicContact SD-CG 4.17Å
219	R	98.8	Very high	98.5	Very high	72 Å²	72	60 Å²	60	27%	0.272	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-43.4	-178.4	-75.1	174.4	168.5	158.7	-0.4	111.7	L215 D216 L222 K223 L244	L215-R219 HydrophobicContact CD1-CG 4.4Å; L215-R219 VanDerWaalsContact O-CG 3.3Å; L215-R219 WeakPolarHBondContact O-CG 3.46Å; L215-R219 PolarHBondContact O-N 3.26Å; D216-R219 PolarHBondContact O-N 3.36Å; D216-R219 VanDerWaalsContact O-N 3.13Å; R219-L222 PolarHBondContact O-N 3.26Å; R219-K223 WeakPolarHBondContact O-CB 3.46Å; R219-K223 PolarHBondContact O-N 3.17Å; R219-L244 HydrophobicContact CB-CB 4.41Å; R219-L244 HydrophobicContact CG-CB 4.01Å; R219-L244 WeakPolarHBondContact CG-O 3.32Å; R219-L244 PolarHBondContact NE-O 3.26Å; R219-L244 WeakPolarHBondContact O-CD1 3.48Å
220	D	98.7	Very high	98.5	Very high	106 Å²	106	61 Å²	61	57%	0.567	32%	0.317	S	S	*	.	H	α-helix	trans	-64.6	-46.9	177.9	-72	-13.6	0	0	0	111.1	D216 M218 L222 K223 E224	D216-D220 PolarHBondContact O-N 3.23Å; M218-D220 PolarHBondContact O-N 2.91Å; D220-L222 PolarHBondContact O-N 3.46Å; D220-K223 PolarHBondContact O-N 3.28Å; D220-E224 WeakPolarHBondContact O-CB 3.39Å; D220-E224 WeakPolarHBondContact O-CG 3.26Å; D220-E224 PolarHBondContact O-N 2.88Å
221	A	98.8	Very high	98.5	Very high	10 Å²	10	59.5 Å²	59.5	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-43.5	177.1	0	0	0	0	0	112.6	L173 W175 E217 M218 K223 Q225	L173-A221 HydrophobicContact CD1-CB 4.38Å; L173-A221 HydrophobicContact CD2-CB 3.92Å; W175-A221 HydrophobicContact CZ2-CB 3.98Å; E217-A221 VanDerWaalsContact O-CB 3.31Å; E217-A221 WeakPolarHBondContact O-CB 3.45Å; E217-A221 PolarHBondContact O-N 3.15Å; M218-A221 PolarHBondContact O-N 3.06Å; A221-K223 VanDerWaalsContact C-N 3.34Å; A221-K223 PolarHBondContact O-N 2.92Å; A221-Q225 WeakPolarHBondContact O-CA 3.31Å; A221-Q225 VanDerWaalsContact O-CB 3.31Å; A221-Q225 WeakPolarHBondContact O-CB 3.37Å; A221-Q225 PolarHBondContact O-N 3.49Å
222	L	98.8	Very high	98.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-64.2	-39.1	177.6	-68.3	168.3	0	0	0	111.2	M164 W175 V205 V207 M218 R219 D220 V226 V227 L244 Q245	M164-L222 HydrophobicContact SD-CD2 3.98Å; W175-L222 HydrophobicContact CH2-CD2 4.35Å; W175-L222 HydrophobicContact CH2-CG 4.33Å; V205-L222 HydrophobicContact CG1-CD1 4.28Å; V205-L222 HydrophobicContact CG1-CD2 3.93Å; V207-L222 HydrophobicContact CG1-CD1 4.3Å; V207-L222 HydrophobicContact CG1-CD2 3.96Å; M218-L222 WeakPolarHBondContact O-CB 3.26Å; M218-L222 WeakPolarHBondContact O-CD1 3.38Å; M218-L222 WeakPolarHBondContact O-CG 3.33Å; M218-L222 PolarHBondContact O-N 3.38Å; R219-L222 PolarHBondContact O-N 3.26Å; D220-L222 PolarHBondContact O-N 3.46Å; L222-V226 HydrophobicContact CD2-CG2 4.24Å; L222-V226 VanDerWaalsContact O-CB 3.3Å; L222-V226 WeakPolarHBondContact O-CB 3.4Å; L222-V226 PolarHBondContact O-N 2.93Å; L222-V227 WeakPolarHBondContact O-CG2 3.43Å; L222-V227 PolarHBondContact O-N 3.19Å; L222-L244 HydrophobicContact CB-CD1 4.21Å; L222-L244 HydrophobicContact CB-CD2 4.37Å; L222-L244 HydrophobicContact CD1-CB 4.37Å; L222-Q245 HydrophobicContact CD1-CG 3.76Å
223	K	98.7	Very high	98.5	Very high	73 Å²	73	54.9 Å²	54.9	32%	0.317	29%	0.293	S	S	.	.	I	π-helix	trans	-67.4	-53.8	177.2	-167.9	176.2	-177.2	179.4	0	111.7	R219 D220 A221 V227 K228 L244	R219-K223 WeakPolarHBondContact O-CB 3.46Å; R219-K223 PolarHBondContact O-N 3.17Å; D220-K223 PolarHBondContact O-N 3.28Å; A221-K223 VanDerWaalsContact C-N 3.34Å; A221-K223 PolarHBondContact O-N 2.92Å; K223-V227 PolarHBondContact O-N 3.48Å; K223-K228 PolarHBondContact O-N 2.92Å; K223-L244 HydrophobicContact CB-CD1 3.75Å; K223-L244 HydrophobicContact CG-CD1 4.48Å
224	E	98.5	Very high	98.4	Very high	97 Å²	97	58.8 Å²	58.8	45%	0.453	32%	0.318	S	S	.	.	I	π-helix	trans	-80.7	-40.2	-169.2	-61.7	-56.2	125.2	0	0	113.2	D220 K228	D220-E224 WeakPolarHBondContact O-CB 3.39Å; D220-E224 WeakPolarHBondContact O-CG 3.26Å; D220-E224 PolarHBondContact O-N 2.88Å; E224-K228 VanDerWaalsContact OE1-CE 3.28Å; E224-K228 WeakPolarHBondContact OE1-CE 3.43Å; E224-K228 IonicContact OE1-NZ 3.66Å; E224-K228 PolarHBondContact OE1-NZ 3.01Å; E224-K228 WeakPolarHBondContact OE2-CD 3.29Å; E224-K228 IonicContact OE2-NZ 2.68Å; E224-K228 PolarHBondContact OE2-NZ 2.78Å
225	Q	98.8	Very high	98.4	Very high	78 Å²	78	58.4 Å²	58.4	36%	0.364	31%	0.308	S	S	.	.	I	π-helix	trans	-99	-17.5	-172.5	-55	-175.5	43.7	0	0	113.7	L167 A221 A229	L167-Q225 HydrophobicContact CD1-CB 4.04Å; A221-Q225 WeakPolarHBondContact O-CA 3.31Å; A221-Q225 VanDerWaalsContact O-CB 3.31Å; A221-Q225 WeakPolarHBondContact O-CB 3.37Å; A221-Q225 PolarHBondContact O-N 3.49Å; Q225-A229 VanDerWaalsContact O-CB 3.25Å; Q225-A229 WeakPolarHBondContact O-CB 3.09Å
226	V	98.8	Very high	98.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-110.8	-61.5	179.1	-178.4	0	0	0	0	111	L160 K163 M164 L167 L173 L222 A229 V230	L160-V226 HydrophobicContact CD2-CG1 3.91Å; K163-V226 HydrophobicContact CB-CG1 4.34Å; K163-V226 HydrophobicContact CG-CG1 4.37Å; M164-V226 HydrophobicContact CG-CB 4.5Å; M164-V226 HydrophobicContact CG-CG1 3.78Å; M164-V226 HydrophobicContact CG-CG2 3.9Å; L167-V226 HydrophobicContact CD1-CG2 3.82Å; L173-V226 HydrophobicContact CD1-CG2 4.48Å; L222-V226 HydrophobicContact CD2-CG2 4.24Å; L222-V226 VanDerWaalsContact O-CB 3.3Å; L222-V226 WeakPolarHBondContact O-CB 3.4Å; L222-V226 PolarHBondContact O-N 2.93Å; V226-A229 PolarHBondContact O-N 3.33Å; V226-V230 WeakPolarHBondContact O-CB 3.22Å; V226-V230 WeakPolarHBondContact O-CG2 3.43Å; V226-V230 PolarHBondContact O-N 3.17Å
227	V	98.8	Very high	98.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	I	π-helix	trans	-67.5	-53.7	-173.7	179.7	0	0	0	0	111.6	L160 V203 V205 L222 K223 A229 V230 V231 Y242 L244	L160-V227 HydrophobicContact CD2-CB 4.41Å; L160-V227 HydrophobicContact CD2-CG2 4.07Å; V203-V227 HydrophobicContact CG1-CG1 4.4Å; V203-V227 HydrophobicContact CG1-CG2 3.91Å; V203-V227 HydrophobicContact CG2-CG1 4.3Å; V205-V227 HydrophobicContact CG2-CG2 4.36Å; L222-V227 WeakPolarHBondContact O-CG2 3.43Å; L222-V227 PolarHBondContact O-N 3.19Å; K223-V227 PolarHBondContact O-N 3.48Å; V227-A229 PolarHBondContact O-N 2.93Å; V227-V230 PolarHBondContact O-N 2.97Å; V227-V230 VanDerWaalsContact O-N 3.12Å; V227-V231 HydrophobicContact CG1-CB 4.47Å; V227-V231 HydrophobicContact CG1-CG2 3.97Å; V227-V231 PolarHBondContact O-N 3.49Å; V227-Y242 HydrophobicContact CG1-CD1 4.49Å; V227-Y242 HydrophobicContact CG1-CE1 3.9Å; V227-L244 HydrophobicContact CG2-CD2 4.39Å
228	K	98.5	Very high	98.2	Very high	95 Å²	95	58.4 Å²	58.4	41%	0.413	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-22	178.5	-74.1	-177.4	177	172	0	114.1	K223 E224 V230 L236	K223-K228 PolarHBondContact O-N 2.92Å; E224-K228 VanDerWaalsContact OE1-CE 3.28Å; E224-K228 WeakPolarHBondContact OE1-CE 3.43Å; E224-K228 IonicContact OE1-NZ 3.66Å; E224-K228 PolarHBondContact OE1-NZ 3.01Å; E224-K228 WeakPolarHBondContact OE2-CD 3.29Å; E224-K228 IonicContact OE2-NZ 2.68Å; E224-K228 PolarHBondContact OE2-NZ 2.78Å; K228-V230 VanDerWaalsContact C-N 3.33Å; K228-L236 HydrophobicContact CG-CD1 4.35Å
229	A	98.5	Very high	98.1	Very high	60 Å²	60	62.9 Å²	62.9	50%	0.496	34%	0.336	S	S	.	.	H	α-helix	trans	-77.2	-20.7	175.4	0	0	0	0	0	113	Q225 V226 V227	Q225-A229 VanDerWaalsContact O-CB 3.25Å; Q225-A229 WeakPolarHBondContact O-CB 3.09Å; V226-A229 PolarHBondContact O-N 3.33Å; V227-A229 PolarHBondContact O-N 2.93Å
230	V	98.7	Very high	98	Very high	27 Å²	27	59.9 Å²	59.9	16%	0.164	33%	0.325	C	S	.	.	H	α-helix	trans	-111.2	-46	-173.5	168.5	0	0	0	0	112.3	L156 K159 L160 K163 V226 V227 K228 P232	L156-V230 HydrophobicContact CD2-CG1 4.35Å; K159-V230 HydrophobicContact CB-CG1 3.42Å; K159-V230 VanDerWaalsContact CB-CG1 3.42Å; K159-V230 HydrophobicContact CB-CG2 4.46Å; L160-V230 HydrophobicContact CD2-CB 3.92Å; L160-V230 HydrophobicContact CD2-CG1 4.06Å; L160-V230 HydrophobicContact CD2-CG2 4.32Å; L160-V230 HydrophobicContact CG-CG1 4.12Å; K163-V230 HydrophobicContact CB-CG2 3.64Å; K163-V230 HydrophobicContact CG-CG2 3.97Å; V226-V230 WeakPolarHBondContact O-CB 3.22Å; V226-V230 WeakPolarHBondContact O-CG2 3.43Å; V226-V230 PolarHBondContact O-N 3.17Å; V227-V230 PolarHBondContact O-N 2.97Å; V227-V230 VanDerWaalsContact O-N 3.12Å; K228-V230 VanDerWaalsContact C-N 3.33Å; V230-P232 WeakPolarHBondContact O-CD 3.32Å
231	V	98.6	Very high	98	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.012	31%	0.306	C	S	.	.	S	Bend	trans	-84.2	120.7	-174.9	-174.7	0	0	0	0	108.7	L156 L160 V200 V227 T233 L236	L156-V231 HydrophobicContact CD1-CG1 4.29Å; L156-V231 HydrophobicContact CD2-CG2 4.32Å; L160-V231 HydrophobicContact CD2-CG2 4.5Å; V200-V231 HydrophobicContact CG2-CG1 3.65Å; V227-V231 HydrophobicContact CG1-CB 4.47Å; V227-V231 HydrophobicContact CG1-CG2 3.97Å; V227-V231 PolarHBondContact O-N 3.49Å; V231-T233 PolarHBondContact O-N 3.02Å; V231-L236 HydrophobicContact CB-CD1 4.15Å; V231-L236 HydrophobicContact CB-CD2 4.21Å; V231-L236 HydrophobicContact CB-CG 4.26Å; V231-L236 HydrophobicContact CG1-CD1 4.25Å; V231-L236 HydrophobicContact CG1-CD2 3.67Å; V231-L236 HydrophobicContact CG1-CG 3.8Å
232	P	98.1	Very high	98	Very high	59 Å²	59	58.7 Å²	58.7	38%	0.383	31%	0.313	S	S	.	.			trans	-53.9	134.9	175.8	-27	35	0	0	0	111.5	V230 V234 Y235	V230-P232 WeakPolarHBondContact O-CD 3.32Å; P232-V234 HydrophobicContact CB-CG1 3.98Å; P232-V234 PolarHBondContact O-N 3.14Å; P232-V234 VanDerWaalsContact O-N 3.1Å; P232-Y235 HydrophobicContact CB-CD2 3.86Å; P232-Y235 HydrophobicContact CB-CE2 4.2Å; P232-Y235 HydrophobicContact CG-CD2 3.99Å; P232-Y235 HydrophobicContact CG-CE2 4.11Å; P232-Y235 PolarHBondContact O-N 2.73Å
233	T	96.6	Very high	98	Very high	117 Å²	117	61.8 Å²	61.8	72%	0.718	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-60.1	-26.1	-175.7	52.9	0	0	0	0	113.3	V231 Y235 L236	V231-T233 PolarHBondContact O-N 3.02Å; T233-Y235 PolarHBondContact O-N 2.69Å; T233-L236 PolarHBondContact O-N 2.89Å; T233-L236 VanDerWaalsContact O-N 3.12Å
234	V	97.5	Very high	98	Very high	114 Å²	114	58.9 Å²	58.9	69%	0.691	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-60.5	-22.4	174.7	65.6	0	0	0	0	113.3	P232	P232-V234 HydrophobicContact CB-CG1 3.98Å; P232-V234 PolarHBondContact O-N 3.14Å; P232-V234 VanDerWaalsContact O-N 3.1Å
235	Y	98.3	Very high	98	Very high	51 Å²	51	54.3 Å²	54.3	20%	0.2	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-99.8	-0.5	178.2	-58.6	-55.6	0	0	0	113.7	L152 P197 V200 P232 T233	L152-Y235 HydrophobicContact CD2-CD2 4.18Å; L152-Y235 HydrophobicContact CD2-CE1 4.38Å; L152-Y235 HydrophobicContact CD2-CE2 3.73Å; P197-Y235 HydrophobicContact CB-CE1 4.17Å; V200-Y235 WeakPolarHBondContact CB-O 3.44Å; V200-Y235 PolarHBondContact N-O 3.45Å; P232-Y235 HydrophobicContact CB-CD2 3.86Å; P232-Y235 HydrophobicContact CB-CE2 4.2Å; P232-Y235 HydrophobicContact CG-CD2 3.99Å; P232-Y235 HydrophobicContact CG-CE2 4.11Å; P232-Y235 PolarHBondContact O-N 2.73Å; T233-Y235 PolarHBondContact O-N 2.69Å
236	L	98	Very high	97.9	Very high	30 Å²	30	53.2 Å²	53.2	16%	0.157	29%	0.294	C	S	.	.			trans	-110.7	132.7	179.9	-62.3	179.8	0	0	0	109.9	V200 K228 V231 T233 T240	V200-L236 HydrophobicContact CB-CD2 4.2Å; K228-L236 HydrophobicContact CG-CD1 4.35Å; V231-L236 HydrophobicContact CB-CD1 4.15Å; V231-L236 HydrophobicContact CB-CD2 4.21Å; V231-L236 HydrophobicContact CB-CG 4.26Å; V231-L236 HydrophobicContact CG1-CD1 4.25Å; V231-L236 HydrophobicContact CG1-CD2 3.67Å; V231-L236 HydrophobicContact CG1-CG 3.8Å; T233-L236 PolarHBondContact O-N 2.89Å; T233-L236 VanDerWaalsContact O-N 3.12Å; L236-T240 HydrophobicContact CD2-CG2 4.06Å
237	D	96.5	Very high	97.9	Very high	62 Å²	62	56.9 Å²	56.9	33%	0.332	32%	0.319	S	S	.	.			trans	-140.7	-178.4	176.5	54.1	41.4	0	0	0	111.4	R199 D239 T240	R199-D237 VanDerWaalsContact CD-OD2 3.29Å; R199-D237 WeakPolarHBondContact CD-OD2 3.34Å; R199-D237 IonicContact CZ-OD1 3.27Å; R199-D237 IonicContact CZ-OD2 3.42Å; R199-D237 IonicContact NE-OD1 2.71Å; R199-D237 PolarHBondContact NE-OD1 3.44Å; R199-D237 IonicContact NE-OD2 3.29Å; R199-D237 PolarHBondContact NE-OD2 2.91Å; R199-D237 IonicContact NH2-OD1 3.23Å; R199-D237 PolarHBondContact NH2-OD1 3.08Å; R199-D237 IonicContact NH2-OD2 2.74Å; D237-D239 PolarHBondContact O-N 3.34Å; D237-D239 WeakPolarHBondContact OD1-CA 3.41Å; D237-D239 PolarHBondContact OD1-N 3.05Å; D237-D239 VanDerWaalsContact OD1-N 3.08Å; D237-T240 PolarHBondContact N-OG1 3.48Å; D237-T240 WeakPolarHBondContact O-CB 3.39Å; D237-T240 PolarHBondContact O-N 2.9Å; D237-T240 VanDerWaalsContact O-N 3.15Å; D237-T240 PolarHBondContact O-OG1 2.95Å; D237-T240 PolarHBondContact OD1-N 3.43Å; D237-T240 PolarHBondContact OD1-OG1 2.9Å
238	D	96.5	Very high	97.8	Very high	172 Å²	172	58.3 Å²	58.3	92%	0.92	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.8	-178.7	-68.7	-24.2	0	0	0	112.6
239	D	95.9	Very high	97.8	Very high	95 Å²	95	60.9 Å²	60.9	51%	0.508	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	0.6	178.3	-64.5	-43.5	0	0	0	112.7	L12 R199 D237 I241	L12-D239 HydrophobicContact CD2-CB 4.49Å; R199-D239 PolarHBondContact NH2-O 3.15Å; D237-D239 PolarHBondContact O-N 3.34Å; D237-D239 WeakPolarHBondContact OD1-CA 3.41Å; D237-D239 PolarHBondContact OD1-N 3.05Å; D237-D239 VanDerWaalsContact OD1-N 3.08Å; D239-I241 PolarHBondContact O-N 3.19Å
240	T	97.2	Very high	97.8	Very high	9 Å²	9	60 Å²	60	6%	0.055	33%	0.326	C	S	.	.			trans	-68.4	125.1	175.5	-60.8	0	0	0	0	109.7	R199 V200 L236 D237 Y242	R199-T240 VanDerWaalsContact NH2-CA 3.32Å; R199-T240 VanDerWaalsContact NH2-N 3.1Å; V200-T240 HydrophobicContact CG1-CG2 4.27Å; V200-T240 WeakPolarHBondContact O-CG2 3.25Å; V200-T240 PolarHBondContact O-OG1 3.24Å; L236-T240 HydrophobicContact CD2-CG2 4.06Å; D237-T240 PolarHBondContact N-OG1 3.48Å; D237-T240 WeakPolarHBondContact O-CB 3.39Å; D237-T240 PolarHBondContact O-N 2.9Å; D237-T240 VanDerWaalsContact O-N 3.15Å; D237-T240 PolarHBondContact O-OG1 2.95Å; D237-T240 PolarHBondContact OD1-N 3.43Å; D237-T240 PolarHBondContact OD1-OG1 2.9Å; T240-Y242 HydrophobicContact CG2-CD2 4.4Å; T240-Y242 HydrophobicContact CG2-CE1 3.95Å; T240-Y242 HydrophobicContact CG2-CE2 3.77Å; T240-Y242 WeakPolarHBondContact O-CD2 3.39Å; T240-Y242 WeakPolarHBondContact O-CE2 3.5Å
241	I	98.1	Very high	97.8	Very high	33 Å²	33	59.8 Å²	59.8	17%	0.169	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.1	-179.9	-58	172.4	0	0	0	109.9	H201 T202 V203 D239	H201-I241 PolarHBondContact O-N 2.83Å; T202-I241 CarbonylContact C-O 3.53Å; T202-I241 VanDerWaalsContact CA-O 3.3Å; T202-I241 WeakPolarHBondContact CA-O 3.29Å; T202-I241 HydrophobicContact CG2-CB 4.21Å; T202-I241 HydrophobicContact CG2-CG2 4.25Å; V203-I241 PolarHBondContact N-O 3Å; D239-I241 PolarHBondContact O-N 3.19Å
242	Y	98.3	Very high	97.8	Very high	58 Å²	58	64.6 Å²	64.6	23%	0.227	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.6	179.8	-59.2	-89.2	0	0	0	111.1	V203 V227 T240	V203-Y242 HydrophobicContact CB-CD1 4.32Å; V227-Y242 HydrophobicContact CG1-CD1 4.49Å; V227-Y242 HydrophobicContact CG1-CE1 3.9Å; T240-Y242 HydrophobicContact CG2-CD2 4.4Å; T240-Y242 HydrophobicContact CG2-CE1 3.95Å; T240-Y242 HydrophobicContact CG2-CE2 3.77Å; T240-Y242 WeakPolarHBondContact O-CD2 3.39Å; T240-Y242 WeakPolarHBondContact O-CE2 3.5Å
243	H	98.6	Very high	97.8	Very high	66 Å²	66	61.8 Å²	61.8	31%	0.306	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	83.6	169.9	-65.8	-65	0	0	0	109.6	V203 V204 V205 P246	V203-H243 PolarHBondContact O-N 3.29Å; V204-H243 WeakPolarHBondContact CA-O 3.49Å; V204-H243 HydrophobicContact CB-CB 4.36Å; V204-H243 HydrophobicContact CG1-CB 4.12Å; V204-H243 HydrophobicContact CG2-CB 4.12Å; V205-H243 PolarHBondContact N-O 2.83Å; H243-P246 HydrophobicContact CB-CB 4.26Å; H243-P246 HydrophobicContact CB-CG 4.43Å
244	L	98.7	Very high	97.9	Very high	12 Å²	12	56.2 Å²	56.2	6%	0.063	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.5	-177.2	-53	178.7	0	0	0	110.1	V205 R219 L222 K223 V227	V205-L244 HydrophobicContact CB-CD2 3.85Å; V205-L244 HydrophobicContact CG2-CD2 3.76Å; R219-L244 HydrophobicContact CB-CB 4.41Å; R219-L244 HydrophobicContact CG-CB 4.01Å; R219-L244 WeakPolarHBondContact CG-O 3.32Å; R219-L244 PolarHBondContact NE-O 3.26Å; R219-L244 WeakPolarHBondContact O-CD1 3.48Å; L222-L244 HydrophobicContact CB-CD1 4.21Å; L222-L244 HydrophobicContact CB-CD2 4.37Å; L222-L244 HydrophobicContact CD1-CB 4.37Å; K223-L244 HydrophobicContact CB-CD1 3.75Å; K223-L244 HydrophobicContact CG-CD1 4.48Å; V227-L244 HydrophobicContact CG2-CD2 4.39Å
245	Q	98.4	Very high	98	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	46.3	55.5	-167.7	-60.4	-59.3	99.8	0	0	112.1	V205 V207 H209 L215 M218 L222 S247 G248	V205-Q245 PolarHBondContact O-N 3.12Å; V207-Q245 PolarHBondContact O-NE2 3.24Å; V207-Q245 PolarHBondContact O-OE1 2.83Å; H209-Q245 PolarHBondContact CD2-NE2 3.28Å; L215-Q245 HydrophobicContact CD1-CB 3.55Å; L215-Q245 HydrophobicContact CD1-CG 4.34Å; M218-Q245 HydrophobicContact CB-CG 4.23Å; M218-Q245 HydrophobicContact CE-CG 4.37Å; M218-Q245 HydrophobicContact SD-CG 4.17Å; L222-Q245 HydrophobicContact CD1-CG 3.76Å; Q245-S247 PolarHBondContact O-N 3.5Å; Q245-G248 PolarHBondContact O-N 3.01Å
246	P	97.9	Very high	98	Very high	56 Å²	56	52.2 Å²	52.2	36%	0.364	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.5	-173.1	26.8	-34.8	0	0	0	113.4	V204 V205 S206 H243 G248	V204-P246 HydrophobicContact CG1-CG 4.21Å; V205-P246 WeakPolarHBondContact O-CD 3.45Å; S206-P246 WeakPolarHBondContact OG-CD 3.42Å; H243-P246 HydrophobicContact CB-CB 4.26Å; H243-P246 HydrophobicContact CB-CG 4.43Å; P246-G248 PolarHBondContact O-N 3.36Å
247	S	97.3	Very high	98	Very high	76 Å²	76	52.8 Å²	52.8	53%	0.531	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.9	173.9	68.1	0	0	0	0	113.7	Q245 R249	Q245-S247 PolarHBondContact O-N 3.5Å; S247-R249 PolarHBondContact O-N 2.93Å; S247-R249 PolarHBondContact OG-O 3.44Å; S247-R249 VanDerWaalsContact OG-O 3.08Å
248	G	97.9	Very high	98.1	Very high	30 Å²	30	53.9 Å²	53.9	31%	0.309	29%	0.292	S	S	.	.	S	Bend	trans	76.4	-33	-174.9	0	0	0	0	0	114.6	Q245 P246	Q245-G248 PolarHBondContact O-N 3.01Å; P246-G248 PolarHBondContact O-N 3.36Å
249	R	98.1	Very high	98.2	Very high	149 Å²	149	47.7 Å²	47.7	56%	0.562	27%	0.265	S	S	*	.			trans	-145	132.1	177	-173.5	175.3	176.9	84.8	-2.2	111	S247 V251	S247-R249 PolarHBondContact O-N 2.93Å; S247-R249 PolarHBondContact OG-O 3.44Å; S247-R249 VanDerWaalsContact OG-O 3.08Å; R249-V251 HydrophobicContact CG-CG2 4.13Å
250	F	98.7	Very high	98.3	Very high	41 Å²	41	43.1 Å²	43.1	18%	0.18	24%	0.24	C	C	.	.			trans	-144.6	63	176	-165.2	-169.5	0	0	0	111	Q208 H209 I252	Q208-F250 WeakPolarHBondContact CA-O 3.45Å; Q208-F250 WeakPolarHBondContact CG-O 3.5Å; H209-F250 PolarHBondContact CD2-O 3.31Å; H209-F250 PolarHBondContact N-O 2.61Å; H209-F250 PolarHBondContact NE2-N 2.99Å; F250-I252 WeakPolarHBondContact CD2-O 3.28Å; F250-I252 WeakPolarHBondContact CE2-O 3.48Å
251	V	98.8	Very high	98.4	Very high	23 Å²	23	45.8 Å²	45.8	14%	0.139	25%	0.254	C	S	.	.			trans	-82.2	-49.5	177.7	172.4	0	0	0	0	111.4	Q208 H209 E211 R249 G253	Q208-V251 WeakPolarHBondContact CG-O 3.32Å; Q208-V251 PolarHBondContact NE2-O 3.47Å; H209-V251 WeakPolarHBondContact O-CA 3.31Å; E211-V251 HydrophobicContact CG-CG1 3.72Å; E211-V251 HydrophobicContact CG-CG2 4.35Å; R249-V251 HydrophobicContact CG-CG2 4.13Å; V251-G253 PolarHBondContact O-N 3.06Å
252	I	98.7	Very high	98.4	Very high	104 Å²	104	44.8 Å²	44.8	53%	0.533	25%	0.249	S	C	.	.	S	Bend	trans	-75.6	119.1	175	-60.5	172.2	0	0	0	107.8	F250 Q256	F250-I252 WeakPolarHBondContact CD2-O 3.28Å; F250-I252 WeakPolarHBondContact CE2-O 3.48Å; I252-Q256 HydrophobicContact CG2-CB 4.34Å; I252-Q256 HydrophobicContact CG2-CG 3.92Å
253	G	98.4	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.			trans	-147.1	-169.4	-178.9	0	0	0	0	0	112.5	V251 Q256 G257	V251-G253 PolarHBondContact O-N 3.06Å; G253-Q256 PolarHBondContact O-N 3.04Å; G253-G257 PolarHBondContact O-N 2.83Å
254	G	98.6	Very high	98.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	59.7	-152.2	-179.1	0	0	0	0	0	112.7	Y92 D179 Q256 G257 D258	Y92-G254 WeakPolarHBondContact OH-CA 3.36Å; Y92-G254 PolarHBondContact OH-N 3Å; D179-G254 PolarHBondContact OD2-N 3.21Å; G254-Q256 PolarHBondContact O-N 2.93Å; G254-Q256 VanDerWaalsContact O-N 3.07Å; G254-G257 PolarHBondContact O-N 3.05Å; G254-G257 VanDerWaalsContact O-N 3.08Å; G254-D258 PolarHBondContact O-N 3.13Å; G254-D258 VanDerWaalsContact O-N 3.1Å
255	P	98.7	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-20.5	179.7	-26.4	36.6	0	0	0	114.5	P30 I33 A60 K61 T62 F99 D258	P30-P255 HydrophobicContact CB-CG 4.41Å; I33-P255 HydrophobicContact CD1-CG 3.74Å; A60-P255 HydrophobicContact CB-CB 4.15Å; A60-P255 HydrophobicContact CB-CG 3.99Å; K61-P255 CarbonylContact C-O 3.34Å; K61-P255 WeakPolarHBondContact CD-O 3.34Å; K61-P255 WeakPolarHBondContact CE-O 3.31Å; K61-P255 PolarHBondContact NZ-O 2.83Å; K61-P255 WeakPolarHBondContact O-CB 3.39Å; T62-P255 PolarHBondContact N-O 3.21Å; T62-P255 VanDerWaalsContact N-O 3.16Å; F99-P255 HydrophobicContact CD2-CB 3.81Å; F99-P255 HydrophobicContact CD2-CG 3.76Å; F99-P255 HydrophobicContact CE2-CB 3.81Å; F99-P255 HydrophobicContact CE2-CG 3.85Å; F99-P255 HydrophobicContact CG-CG 4.14Å; F99-P255 HydrophobicContact CZ-CG 4.3Å; P255-D258 CarbonylContact C-O 3.54Å; P255-D258 VanDerWaalsContact CA-O 3.27Å; P255-D258 WeakPolarHBondContact CA-O 3.47Å; P255-D258 VanDerWaalsContact O-O 3.04Å
256	Q	98.5	Very high	98.5	Very high	80 Å²	80	49.2 Å²	49.2	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-70.3	-47.7	174.8	-172	-177.9	30.9	0	0	110.7	K61 T62 I252 G253 G254	K61-Q256 PolarHBondContact NZ-O 2.81Å; T62-Q256 HydrophobicContact CG2-CG 4.23Å; I252-Q256 HydrophobicContact CG2-CB 4.34Å; I252-Q256 HydrophobicContact CG2-CG 3.92Å; G253-Q256 PolarHBondContact O-N 3.04Å; G254-Q256 PolarHBondContact O-N 2.93Å; G254-Q256 VanDerWaalsContact O-N 3.07Å
257	G	97.6	Very high	98.5	Very high	43 Å²	43	50 Å²	50	44%	0.443	27%	0.27	S	S	.	.	H	α-helix	trans	-70.3	-42.2	-179.8	0	0	0	0	0	113.7	G253 G254	G253-G257 PolarHBondContact O-N 2.83Å; G254-G257 PolarHBondContact O-N 3.05Å; G254-G257 VanDerWaalsContact O-N 3.08Å
258	D	98.3	Very high	98.6	Very high	85 Å²	85	46.6 Å²	46.6	46%	0.455	25%	0.246	S	C	.	.	S	Bend	trans	-143.1	154.2	-175.6	-170.9	21.9	0	0	0	111.3	P30 K61 G254 P255	P30-D258 HydrophobicContact CG-CB 3.98Å; K61-D258 PolarHBondContact NZ-O 3.47Å; G254-D258 PolarHBondContact O-N 3.13Å; G254-D258 VanDerWaalsContact O-N 3.1Å; P255-D258 CarbonylContact C-O 3.54Å; P255-D258 VanDerWaalsContact CA-O 3.27Å; P255-D258 WeakPolarHBondContact CA-O 3.47Å; P255-D258 VanDerWaalsContact O-O 3.04Å
259	A	98.8	Very high	98.6	Very high	41 Å²	41	45.2 Å²	45.2	34%	0.339	23%	0.231	S	C	.	.			trans	-79.3	139.5	175.5	0	0	0	0	0	110	A60 K61	A60-A259 WeakPolarHBondContact O-CA 3.25Å; K61-A259 HydrophobicContact CD-CB 3.88Å
260	G	98.9	Very high	98.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.2	177.6	0	0	0	0	0	111.6	P30 D31 C34 V59 A60	P30-G260 VanDerWaalsContact C-CA 3.46Å; D31-G260 VanDerWaalsContact OD1-CA 3.32Å; D31-G260 WeakPolarHBondContact OD1-CA 3.31Å; C34-G260 PolarHBondContact SG-O 2.87Å; V59-G260 CarbonylContact C-O 3.57Å; V59-G260 VanDerWaalsContact CA-O 3.32Å; V59-G260 WeakPolarHBondContact CA-O 3.32Å; A60-G260 PolarHBondContact N-O 3.41Å; A60-G260 PolarHBondContact O-N 3.44Å
261	L	98.9	Very high	98.7	Very high	65 Å²	65	36.5 Å²	36.5	34%	0.34	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.2	169.1	-62.6	89.6	0	0	0	110.5	D31 T58 V59 R264	D31-L261 PolarHBondContact OD1-N 3.08Å; T58-L261 WeakPolarHBondContact O-CA 3.49Å; V59-L261 HydrophobicContact CG1-CG 4.43Å; V59-L261 HydrophobicContact CG2-CD2 4.28Å; V59-L261 HydrophobicContact CG2-CG 4.24Å; L261-R264 HydrophobicContact CB-CG 3.76Å; L261-R264 PolarHBondContact O-N 3.49Å
262	T	98.9	Very high	98.7	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.067	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	141	171.4	-58.5	0	0	0	0	109.7	C34 S38 E57 T58 R264	C34-T262 PolarHBondContact O-OG1 2.7Å; S38-T262 PolarHBondContact OG-OG1 3.01Å; E57-T262 VanDerWaalsContact OE2-CB 3.26Å; E57-T262 WeakPolarHBondContact OE2-CB 3.4Å; E57-T262 WeakPolarHBondContact OE2-CG2 3.33Å; T58-T262 WeakPolarHBondContact CA-OG1 3.38Å; T58-T262 WeakPolarHBondContact CB-OG1 3.44Å; T58-T262 PolarHBondContact N-OG1 3.12Å; T58-T262 PolarHBondContact O-N 3.37Å; T58-T262 PolarHBondContact O-OG1 3.37Å; T58-T262 VanDerWaalsContact O-OG1 3.14Å; T262-R264 VanDerWaalsContact C-N 3.31Å; T262-R264 PolarHBondContact O-N 2.97Å
263	G	98.4	Very high	98.6	Very high	14 Å²	14	32.7 Å²	32.7	14%	0.144	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	15.4	175.4	0	0	0	0	0	115.6	D35 K265 I266 A281	D35-G263 PolarHBondContact OD1-N 3.04Å; G263-K265 VanDerWaalsContact C-N 3.34Å; G263-I266 WeakPolarHBondContact O-CG2 3.47Å; G263-A281 VanDerWaalsContact CA-CB 3.41Å
264	R	98.8	Very high	98.7	Very high	155 Å²	155	33.6 Å²	33.6	59%	0.585	19%	0.193	S	C	*	.	S	Bend	trans	-93.1	7.9	173.5	-69.1	-61.3	-57.1	-73.3	-3.1	114.2	D31 L261 T262	D31-R264 HydrophobicContact CB-CB 4.19Å; D31-R264 VanDerWaalsContact CG-CB 3.5Å; L261-R264 HydrophobicContact CB-CG 3.76Å; L261-R264 PolarHBondContact O-N 3.49Å; T262-R264 VanDerWaalsContact C-N 3.31Å; T262-R264 PolarHBondContact O-N 2.97Å
265	K	98.8	Very high	98.7	Very high	23 Å²	23	34.9 Å²	34.9	10%	0.1	21%	0.206	C	C	.	.			trans	-127.1	27.8	-180	-70.4	-70	171.5	-71.4	0	113.4	V25 H29 D31 K32 G263 I267 V268 D269	V25-K265 HydrophobicContact CG1-CD 4.32Å; V25-K265 HydrophobicContact CG2-CD 3.99Å; V25-K265 HydrophobicContact CG2-CG 4.28Å; H29-K265 WeakPolarHBondContact CE1-CE 3.43Å; H29-K265 PolarHBondContact CE1-NZ 3.1Å; D31-K265 HydrophobicContact CB-CG 3.73Å; D31-K265 IonicContact OD2-NZ 2.63Å; D31-K265 PolarHBondContact OD2-NZ 3.04Å; K32-K265 HydrophobicContact CD-CB 4.22Å; K32-K265 HydrophobicContact CD-CG 4.42Å; G263-K265 VanDerWaalsContact C-N 3.34Å; K265-I267 PolarHBondContact O-N 3.4Å; K265-I267 VanDerWaalsContact O-N 3.08Å; K265-V268 HydrophobicContact CB-CB 4.19Å; K265-V268 HydrophobicContact CB-CG2 4.48Å; K265-V268 HydrophobicContact CD-CB 4.43Å; K265-V268 HydrophobicContact CD-CG2 3.84Å; K265-V268 CarbonylContact O-C 3.51Å; K265-V268 WeakPolarHBondContact O-CA 3.48Å; K265-V268 WeakPolarHBondContact O-CB 3.3Å; K265-V268 PolarHBondContact O-N 3.34Å; K265-D269 PolarHBondContact O-N 2.59Å
266	I	98.8	Very high	98.7	Very high	38 Å²	38	36.5 Å²	36.5	20%	0.195	22%	0.219	C	C	.	.	H	α-helix	trans	-54	-32.3	-177.2	61	-177.5	0	0	0	115.3	G263 T270 A281	G263-I266 WeakPolarHBondContact O-CG2 3.47Å; I266-T270 WeakPolarHBondContact O-CG2 3Å; I266-T270 PolarHBondContact O-N 2.98Å; I266-T270 PolarHBondContact O-OG1 3.17Å; I266-A281 HydrophobicContact CG2-CB 4.28Å
267	I	98.9	Very high	98.7	Very high	73 Å²	73	34.8 Å²	34.8	37%	0.374	21%	0.211	S	C	.	.	H	α-helix	trans	-79.6	-33.4	176.8	-58.7	-55.1	0	0	0	111.8	K265 D269 T270 G272 H277	K265-I267 PolarHBondContact O-N 3.4Å; K265-I267 VanDerWaalsContact O-N 3.08Å; I267-D269 VanDerWaalsContact C-N 3.27Å; I267-T270 PolarHBondContact O-N 2.88Å; I267-G272 WeakPolarHBondContact O-CA 3.48Å; I267-G272 PolarHBondContact O-N 2.9Å; I267-H277 HydrophobicContact CD1-CB 3.63Å
268	V	98.8	Very high	98.7	Very high	4 Å²	4	34 Å²	34	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-35.3	170.8	177	0	0	0	0	110.2	E23 H158 K265 T270	E23-V268 HydrophobicContact CG-CG2 4.26Å; H158-V268 PolarHBondContact CE1-O 2.88Å; H158-V268 PolarHBondContact NE2-O 2.91Å; K265-V268 HydrophobicContact CB-CB 4.19Å; K265-V268 HydrophobicContact CB-CG2 4.48Å; K265-V268 HydrophobicContact CD-CB 4.43Å; K265-V268 HydrophobicContact CD-CG2 3.84Å; K265-V268 CarbonylContact O-C 3.51Å; K265-V268 WeakPolarHBondContact O-CA 3.48Å; K265-V268 WeakPolarHBondContact O-CB 3.3Å; K265-V268 PolarHBondContact O-N 3.34Å; V268-T270 PolarHBondContact O-N 2.73Å
269	D	98.8	Very high	98.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-70.6	-21.8	179.6	-75.9	-33.8	0	0	0	114.8	K32 K265 I267 F282 H379	K32-D269 VanDerWaalsContact CE-OD1 3.31Å; K32-D269 WeakPolarHBondContact CE-OD1 3.49Å; K32-D269 IonicContact NZ-OD1 3.6Å; K32-D269 PolarHBondContact NZ-OD1 2.77Å; K32-D269 IonicContact NZ-OD2 2.83Å; K32-D269 PolarHBondContact NZ-OD2 3.41Å; K265-D269 PolarHBondContact O-N 2.59Å; I267-D269 VanDerWaalsContact C-N 3.27Å; D269-F282 HydrophobicContact CB-CD2 4Å; D269-F282 HydrophobicContact CB-CE2 3.97Å; D269-H379 PolarHBondContact O-N 3.16Å; D269-H379 IonicContact OD1-CD2 3.58Å; D269-H379 PolarHBondContact OD1-CD2 3.49Å; D269-H379 IonicContact OD1-NE2 3.66Å; D269-H379 PolarHBondContact OD1-NE2 3.4Å
270	T	98.9	Very high	98.7	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.025	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-106.2	-171.9	54.9	0	0	0	0	111.2	M150 I266 I267 V268 H277 F282 F380	M150-T270 WeakPolarHBondContact CE-O 3.39Å; I266-T270 WeakPolarHBondContact O-CG2 3Å; I266-T270 PolarHBondContact O-N 2.98Å; I266-T270 PolarHBondContact O-OG1 3.17Å; I267-T270 PolarHBondContact O-N 2.88Å; V268-T270 PolarHBondContact O-N 2.73Å; T270-H277 PolarHBondContact OG1-CD2 2.87Å; T270-F282 HydrophobicContact CG2-CE2 3.44Å; T270-F282 VanDerWaalsContact CG2-CE2 3.44Å; T270-F282 HydrophobicContact CG2-CZ 3.4Å; T270-F380 HydrophobicContact CG2-CE2 3.83Å
271	Y	98.9	Very high	98.7	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.008	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	12.6	-162.2	-48.6	-63.9	0	0	0	112.8	F139 G140 Y141 M150 G273 W274 F380	F139-Y271 PolarHBondContact O-OH 2.99Å; G140-Y271 WeakPolarHBondContact CA-OH 3.5Å; Y141-Y271 AromaticContact CD1-CD1 3.96Å; Y141-Y271 HydrophobicContact CD1-CD1 3.96Å; Y141-Y271 HydrophobicContact CD1-CG 4.13Å; Y141-Y271 HydrophobicContact CG-CD1 4.38Å; Y141-Y271 HydrophobicContact CG-CG 4.36Å; Y141-Y271 VanDerWaalsContact N-CZ 3.26Å; Y141-Y271 PolarHBondContact N-OH 3.47Å; Y141-Y271 WeakPolarHBondContact O-CE1 3.28Å; M150-Y271 HydrophobicContact CE-CD1 4.12Å; M150-Y271 HydrophobicContact SD-CD1 4Å; M150-Y271 HydrophobicContact SD-CE1 4.28Å; Y271-G273 PolarHBondContact O-N 2.78Å; Y271-G273 VanDerWaalsContact O-N 3.17Å; Y271-W274 VanDerWaalsContact CB-O 3.28Å; Y271-W274 WeakPolarHBondContact CB-O 3.33Å; Y271-W274 WeakPolarHBondContact O-CB 3.4Å; Y271-W274 PolarHBondContact O-N 2.93Å; Y271-F380 HydrophobicContact CD1-CD2 4.13Å; Y271-F380 AromaticContact CE1-CD2 3.38Å; Y271-F380 HydrophobicContact CE1-CD2 3.38Å; Y271-F380 AromaticContact CE1-CE2 3.83Å; Y271-F380 HydrophobicContact CE1-CE2 3.83Å; Y271-F380 HydrophobicContact CE1-CG 4.28Å; Y271-F380 HydrophobicContact CE2-CE2 4.21Å; Y271-F380 AromaticContact CZ-CD2 3.61Å; Y271-F380 AromaticContact CZ-CE2 3.51Å; Y271-F380 VanDerWaalsContact OH-CE2 3.25Å; Y271-F380 WeakPolarHBondContact OH-CE2 3.15Å
272	G	98.6	Very high	98.7	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.031	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	28.4	173.5	0	0	0	0	0	114.5	S22 I267	S22-G272 VanDerWaalsContact CB-O 3.28Å; S22-G272 WeakPolarHBondContact CB-O 3.27Å; S22-G272 PolarHBondContact OG-O 3.21Å; I267-G272 WeakPolarHBondContact O-CA 3.48Å; I267-G272 PolarHBondContact O-N 2.9Å
273	G	98.5	Very high	98.7	Very high	45 Å²	45	28.3 Å²	28.3	46%	0.464	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.4	-15.7	-178.5	0	0	0	0	0	113.8	Y271	Y271-G273 PolarHBondContact O-N 2.78Å; Y271-G273 VanDerWaalsContact O-N 3.17Å
274	W	98.8	Very high	98.7	Very high	19 Å²	19	27.7 Å²	27.7	7%	0.072	18%	0.177	C	C	.	.	S	Bend	trans	-75.8	162.5	172.8	-66.3	95.1	0	0	0	112.1	F18 F20 Y141 P151 T153 Y188 M195 Y271 A276	F18-W274 AromaticContact CE2-CH2 3.85Å; F18-W274 HydrophobicContact CE2-CH2 3.85Å; F18-W274 AromaticContact CZ-CH2 3.9Å; F18-W274 HydrophobicContact CZ-CH2 3.9Å; F20-W274 HydrophobicContact CB-CH2 4.13Å; F20-W274 HydrophobicContact CB-CZ2 3.47Å; F20-W274 VanDerWaalsContact CB-CZ2 3.47Å; F20-W274 AromaticContact CD1-CD1 3.72Å; F20-W274 HydrophobicContact CD1-CD2 4.08Å; F20-W274 AromaticContact CD1-CE2 3.3Å; F20-W274 HydrophobicContact CD1-CG 4.34Å; F20-W274 AromaticContact CD1-CZ2 3.64Å; F20-W274 HydrophobicContact CD1-CZ2 3.64Å; F20-W274 AromaticContact CD1-NE1 3.05Å; F20-W274 HydrophobicContact CD2-CD2 4.28Å; F20-W274 AromaticContact CD2-CE2 3.86Å; F20-W274 HydrophobicContact CD2-CE3 4.45Å; F20-W274 AromaticContact CD2-CH2 3.85Å; F20-W274 HydrophobicContact CD2-CH2 3.85Å; F20-W274 AromaticContact CD2-CZ2 3.65Å; F20-W274 HydrophobicContact CD2-CZ2 3.65Å; F20-W274 HydrophobicContact CD2-CZ3 4.23Å; F20-W274 AromaticContact CE1-CD1 3.37Å; F20-W274 AromaticContact CE1-CD2 3.89Å; F20-W274 HydrophobicContact CE1-CD2 3.89Å; F20-W274 AromaticContact CE1-CE2 3.58Å; F20-W274 AromaticContact CE1-CG 3.82Å; F20-W274 HydrophobicContact CE1-CG 3.82Å; F20-W274 HydrophobicContact CE1-CZ2 4.29Å; F20-W274 AromaticContact CE1-NE1 3.25Å; F20-W274 VanDerWaalsContact CE1-NE1 3.25Å; F20-W274 HydrophobicContact CE2-CD2 4.09Å; F20-W274 HydrophobicContact CE2-CE3 4.24Å; F20-W274 HydrophobicContact CE2-CH2 4.43Å; F20-W274 HydrophobicContact CE2-CZ2 4.29Å; F20-W274 HydrophobicContact CE2-CZ3 4.4Å; F20-W274 HydrophobicContact CG-CD2 4.28Å; F20-W274 AromaticContact CG-CE2 3.45Å; F20-W274 VanDerWaalsContact CG-CE2 3.45Å; F20-W274 AromaticContact CG-CH2 3.94Å; F20-W274 HydrophobicContact CG-CH2 3.94Å; F20-W274 AromaticContact CG-CZ2 3.27Å; F20-W274 HydrophobicContact CG-CZ2 3.27Å; F20-W274 AromaticContact CG-NE1 3.72Å; F20-W274 AromaticContact CZ-CD2 3.89Å; F20-W274 HydrophobicContact CZ-CD2 3.89Å; F20-W274 AromaticContact CZ-CE2 3.97Å; F20-W274 HydrophobicContact CZ-CE3 4.42Å; F20-W274 AromaticContact CZ-CG 3.98Å; F20-W274 HydrophobicContact CZ-CG 3.98Å; Y141-W274 HydrophobicContact CE1-CB 4.03Å; P151-W274 HydrophobicContact CB-CB 4.49Å; P151-W274 HydrophobicContact CB-CD2 4.47Å; P151-W274 HydrophobicContact CB-CG 3.86Å; P151-W274 HydrophobicContact CG-CB 3.71Å; P151-W274 HydrophobicContact CG-CD2 4.5Å; P151-W274 HydrophobicContact CG-CG 3.59Å; T153-W274 PolarHBondContact OG1-NE1 2.77Å; T153-W274 VanDerWaalsContact OG1-NE1 3.15Å; Y188-W274 HydrophobicContact CD2-CZ2 4.15Å; Y188-W274 HydrophobicContact CE1-CZ2 4.4Å; Y188-W274 AromaticContact CE2-CZ2 3.73Å; Y188-W274 HydrophobicContact CE2-CZ2 3.73Å; Y188-W274 AromaticContact CZ-CZ2 3.88Å; M195-W274 HydrophobicContact CG-CH2 3.92Å; M195-W274 HydrophobicContact CG-CZ3 3.88Å; M195-W274 HydrophobicContact SD-CH2 3.7Å; M195-W274 HydrophobicContact SD-CZ3 3.69Å; Y271-W274 VanDerWaalsContact CB-O 3.28Å; Y271-W274 WeakPolarHBondContact CB-O 3.33Å; Y271-W274 WeakPolarHBondContact O-CB 3.4Å; Y271-W274 PolarHBondContact O-N 2.93Å; W274-A276 PolarHBondContact O-N 3.39Å
275	G	98.6	Very high	98.7	Very high	27 Å²	27	21.4 Å²	21.4	28%	0.278	15%	0.154	S	C	.	.	S	Bend	trans	63.8	-122.6	-177.5	0	0	0	0	0	111.3
276	A	98.8	Very high	98.7	Very high	33 Å²	33	20.3 Å²	20.3	27%	0.273	15%	0.149	S	C	.	.			trans	-155.7	171	174.8	0	0	0	0	0	110.1	F139 W274 L315	F139-A276 HydrophobicContact CB-CB 4.41Å; F139-A276 WeakPolarHBondContact CB-O 3.24Å; F139-A276 HydrophobicContact CD1-CB 3.77Å; F139-A276 HydrophobicContact CD2-CB 3.8Å; F139-A276 HydrophobicContact CE1-CB 3.78Å; F139-A276 HydrophobicContact CE2-CB 3.82Å; F139-A276 HydrophobicContact CG-CB 3.75Å; F139-A276 HydrophobicContact CZ-CB 3.8Å; W274-A276 PolarHBondContact O-N 3.39Å; A276-L315 HydrophobicContact CB-CD1 4.19Å; A276-L315 HydrophobicContact CB-CD2 4.02Å
277	H	98.8	Very high	98.7	Very high	45 Å²	45	19 Å²	19	21%	0.208	14%	0.142	C	C	.	.			trans	-134.9	145.5	175.9	-161.1	-84.9	0	0	0	111.3	I267 T270 G279 G280	I267-H277 HydrophobicContact CD1-CB 3.63Å; T270-H277 PolarHBondContact OG1-CD2 2.87Å; H277-G279 PolarHBondContact ND1-N 2.81Å; H277-G280 PolarHBondContact CE1-O 2.88Å
278	G	98.4	Very high	98.7	Very high	27 Å²	27	15.6 Å²	15.6	28%	0.278	12%	0.124	S	C	.	.			trans	-88.4	-20	-174.3	0	0	0	0	0	116.2	L137	L137-G278 VanDerWaalsContact CD1-CA 3.5Å; L137-G278 WeakPolarHBondContact O-CA 3.43Å
279	G	98.2	Very high	98.7	Very high	52 Å²	52	16.6 Å²	16.6	54%	0.536	13%	0.128	S	C	.	.	S	Bend	trans	107.7	-29	178.7	0	0	0	0	0	113	H277	H277-G279 PolarHBondContact ND1-N 2.81Å
280	G	98.2	Very high	98.7	Very high	13 Å²	13	16.6 Å²	16.6	13%	0.134	13%	0.128	C	C	.	.			trans	-66.8	129.3	179.2	0	0	0	0	0	114	H277 D291	H277-G280 PolarHBondContact CE1-O 2.88Å; G280-D291 VanDerWaalsContact CA-CG 3.47Å
281	A	98.7	Very high	98.7	Very high	13 Å²	13	17.5 Å²	17.5	11%	0.107	13%	0.133	C	C	.	.			trans	-73.6	158.8	170.2	0	0	0	0	0	112.1	G263 I266 K285 D291	G263-A281 VanDerWaalsContact CA-CB 3.41Å; I266-A281 HydrophobicContact CG2-CB 4.28Å; A281-K285 WeakPolarHBondContact O-CD 3.47Å; A281-K285 WeakPolarHBondContact O-CE 3.43Å; A281-K285 PolarHBondContact O-NZ 3.07Å; A281-D291 WeakPolarHBondContact O-CB 3.28Å
282	F	98.9	Very high	98.7	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.018	13%	0.133	C	C	.	.			trans	-97.8	-56.6	179.3	-54.5	-31.2	0	0	0	113	D269 T270 K285 D291 R292 A295 Y296 H379 F380	D269-F282 HydrophobicContact CB-CD2 4Å; D269-F282 HydrophobicContact CB-CE2 3.97Å; T270-F282 HydrophobicContact CG2-CE2 3.44Å; T270-F282 VanDerWaalsContact CG2-CE2 3.44Å; T270-F282 HydrophobicContact CG2-CZ 3.4Å; F282-K285 WeakPolarHBondContact O-CB 3.46Å; F282-K285 PolarHBondContact O-N 3.41Å; F282-D291 WeakPolarHBondContact CD1-O 3.5Å; F282-D291 VanDerWaalsContact CE1-O 3.25Å; F282-D291 WeakPolarHBondContact CE1-O 3.21Å; F282-R292 VanDerWaalsContact C-NH2 3.26Å; F282-R292 HydrophobicContact CB-CB 4.46Å; F282-R292 HydrophobicContact CD1-CB 4.31Å; F282-R292 PolarHBondContact O-NE 3.02Å; F282-R292 PolarHBondContact O-NH1 2.9Å; F282-R292 PolarHBondContact O-NH2 3.07Å; F282-A295 HydrophobicContact CE1-CB 3.66Å; F282-A295 HydrophobicContact CZ-CB 3.97Å; F282-Y296 HydrophobicContact CD2-CE1 4.44Å; F282-H379 HydrophobicContact CD2-CB 4.38Å; F282-H379 AromaticContact CD2-CD2 3.7Å; F282-H379 AromaticContact CD2-CE1 3.71Å; F282-H379 AromaticContact CD2-CG 3.65Å; F282-H379 AromaticContact CD2-ND1 3.63Å; F282-H379 AromaticContact CD2-NE2 3.73Å; F282-H379 HydrophobicContact CE2-CB 4.42Å; F282-F380 HydrophobicContact CE2-CZ 4.44Å; F282-F380 HydrophobicContact CZ-CZ 4.43Å
283	S	98.9	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	141.1	-171	-50.8	0	0	0	0	113.6	D35 D39 K285	D35-S283 VanDerWaalsContact CB-OG 3.28Å; D35-S283 WeakPolarHBondContact CB-OG 3.29Å; D35-S283 WeakPolarHBondContact O-CB 3.49Å; D35-S283 WeakPolarHBondContact OD1-CB 3.48Å; D35-S283 PolarHBondContact OD1-OG 3.44Å; D35-S283 VanDerWaalsContact OD1-OG 3.13Å; D39-S283 WeakPolarHBondContact OD1-CA 3.48Å; S283-K285 VanDerWaalsContact C-N 3.32Å; S283-K285 PolarHBondContact O-N 3.12Å
284	G	98.8	Very high	98.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	7.2	178.1	0	0	0	0	0	115.6	D39 V54 A55 C56	D39-G284 PolarHBondContact OD1-N 2.88Å; V54-G284 CarbonylContact C-O 3.57Å; V54-G284 WeakPolarHBondContact CG1-O 3.43Å; A55-G284 CarbonylContact C-O 3.44Å; A55-G284 VanDerWaalsContact CA-O 3.32Å; A55-G284 WeakPolarHBondContact CA-O 3.29Å; C56-G284 PolarHBondContact N-O 3.32Å; C56-G284 WeakPolarHBondContact O-CA 3.41Å
285	K	98.9	Very high	98.7	Very high	23 Å²	23	14.5 Å²	14.5	10%	0.1	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-117.1	131.6	-175.2	-60.1	179.4	-179	175.1	0	112.8	L42 V54 A281 F282 S283 K289 D291 R292	L42-K285 VanDerWaalsContact CD2-O 3.27Å; L42-K285 WeakPolarHBondContact CD2-O 3.38Å; V54-K285 WeakPolarHBondContact O-CA 3.43Å; A281-K285 WeakPolarHBondContact O-CD 3.47Å; A281-K285 WeakPolarHBondContact O-CE 3.43Å; A281-K285 PolarHBondContact O-NZ 3.07Å; F282-K285 WeakPolarHBondContact O-CB 3.46Å; F282-K285 PolarHBondContact O-N 3.41Å; S283-K285 VanDerWaalsContact C-N 3.32Å; S283-K285 PolarHBondContact O-N 3.12Å; K285-K289 HydrophobicContact CB-CB 3.84Å; K285-K289 HydrophobicContact CB-CG 4.06Å; K285-K289 HydrophobicContact CD-CB 4.06Å; K285-K289 HydrophobicContact CD-CG 4.22Å; K285-K289 HydrophobicContact CG-CB 4.35Å; K285-K289 HydrophobicContact CG-CG 4.27Å; K285-D291 HydrophobicContact CD-CB 4.49Å; K285-D291 IonicContact NZ-OD2 3.7Å; K285-D291 PolarHBondContact NZ-OD2 2.97Å; K285-R292 WeakPolarHBondContact O-CD 3.37Å; K285-R292 PolarHBondContact O-NH1 3.18Å
286	D	98.9	Very high	98.8	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	10%	0.095	C	C	.	.			trans	-73.7	171.8	171.8	76.3	-95.7	0	0	0	112.5	L42 A52 K53 V54 T288 K289	L42-D286 HydrophobicContact CD1-CB 4.14Å; A52-D286 WeakPolarHBondContact O-CB 3.42Å; K53-D286 WeakPolarHBondContact CA-OD1 3.49Å; V54-D286 HydrophobicContact CB-CB 4.48Å; V54-D286 PolarHBondContact N-OD1 2.74Å; V54-D286 PolarHBondContact O-N 3.08Å; D286-T288 PolarHBondContact O-N 2.73Å; D286-T288 VanDerWaalsContact O-N 3.11Å; D286-T288 WeakPolarHBondContact OD2-CB 3.28Å; D286-T288 WeakPolarHBondContact OD2-CG2 3.4Å; D286-T288 PolarHBondContact OD2-N 2.91Å; D286-T288 PolarHBondContact OD2-OG1 3.08Å; D286-T288 VanDerWaalsContact OD2-OG1 3.09Å; D286-K289 PolarHBondContact O-N 2.68Å; D286-K289 VanDerWaalsContact O-N 3.09Å; D286-K289 IonicContact OD1-NZ 2.59Å; D286-K289 PolarHBondContact OD1-NZ 2.89Å
287	Y	98.8	Very high	98.8	Very high	11 Å²	11	11.7 Å²	11.7	4%	0.043	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.1	-172.1	82.3	-91	0	0	0	114.7	V130 K289 S293 V361 K367	V130-Y287 HydrophobicContact CG1-CE2 4.24Å; Y287-K289 PolarHBondContact O-N 2.75Å; Y287-S293 WeakPolarHBondContact O-CB 3.32Å; Y287-S293 PolarHBondContact O-OG 3.35Å; Y287-V361 HydrophobicContact CD1-CB 4.33Å; Y287-V361 HydrophobicContact CD1-CG2 3.67Å; Y287-V361 HydrophobicContact CD2-CB 3.38Å; Y287-V361 HydrophobicContact CD2-CG1 3.88Å; Y287-V361 HydrophobicContact CD2-CG2 3.68Å; Y287-V361 HydrophobicContact CE1-CG2 3.97Å; Y287-V361 HydrophobicContact CE2-CB 3.67Å; Y287-V361 HydrophobicContact CE2-CG1 3.61Å; Y287-V361 HydrophobicContact CE2-CG2 3.95Å; Y287-V361 HydrophobicContact CG-CB 3.72Å; Y287-V361 HydrophobicContact CG-CG2 3.5Å; Y287-K367 HydrophobicContact CD1-CG 4.26Å; Y287-K367 HydrophobicContact CE1-CG 4.35Å
288	T	98.8	Very high	98.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.8	-180	77.2	0	0	0	0	111.5	K53 V130 G133 D286 V290	K53-T288 HydrophobicContact CD-CG2 4.3Å; V130-T288 HydrophobicContact CG2-CG2 4.33Å; G133-T288 VanDerWaalsContact CA-O 3.3Å; G133-T288 WeakPolarHBondContact CA-O 3.32Å; G133-T288 PolarHBondContact N-O 2.91Å; D286-T288 PolarHBondContact O-N 2.73Å; D286-T288 VanDerWaalsContact O-N 3.11Å; D286-T288 WeakPolarHBondContact OD2-CB 3.28Å; D286-T288 WeakPolarHBondContact OD2-CG2 3.4Å; D286-T288 PolarHBondContact OD2-N 2.91Å; D286-T288 PolarHBondContact OD2-OG1 3.08Å; D286-T288 VanDerWaalsContact OD2-OG1 3.09Å; T288-V290 PolarHBondContact O-N 3.16Å
289	K	98.8	Very high	98.8	Very high	25 Å²	25	8.3 Å²	8.3	11%	0.109	6%	0.059	C	C	.	.			trans	-80.6	102.5	175.5	-78	64.2	173.7	-176.5	0	108.6	K285 D286 Y287 D291 R292 S293	K285-K289 HydrophobicContact CB-CB 3.84Å; K285-K289 HydrophobicContact CB-CG 4.06Å; K285-K289 HydrophobicContact CD-CB 4.06Å; K285-K289 HydrophobicContact CD-CG 4.22Å; K285-K289 HydrophobicContact CG-CB 4.35Å; K285-K289 HydrophobicContact CG-CG 4.27Å; D286-K289 PolarHBondContact O-N 2.68Å; D286-K289 VanDerWaalsContact O-N 3.09Å; D286-K289 IonicContact OD1-NZ 2.59Å; D286-K289 PolarHBondContact OD1-NZ 2.89Å; Y287-K289 PolarHBondContact O-N 2.75Å; K289-D291 PolarHBondContact O-N 2.63Å; K289-D291 VanDerWaalsContact O-N 3.12Å; K289-R292 PolarHBondContact O-N 3.46Å; K289-R292 VanDerWaalsContact O-N 3.08Å; K289-S293 PolarHBondContact O-N 3.06Å; K289-S293 PolarHBondContact O-OG 3.26Å
290	V	98.6	Very high	98.8	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-62.1	-20.9	-173.8	-72.4	0	0	0	0	113.8	A132 D134 M138 T288 R292 A294 Y320 P357	A132-V290 HydrophobicContact CB-CB 4.49Å; A132-V290 HydrophobicContact CB-CG1 3.6Å; A132-V290 HydrophobicContact CB-CG2 4.07Å; D134-V290 WeakPolarHBondContact O-CG2 3.29Å; M138-V290 HydrophobicContact CE-CB 4.19Å; M138-V290 HydrophobicContact CE-CG2 3.7Å; M138-V290 WeakPolarHBondContact CG-O 3.48Å; M138-V290 HydrophobicContact SD-CB 4.31Å; M138-V290 HydrophobicContact SD-CG2 4.33Å; T288-V290 PolarHBondContact O-N 3.16Å; V290-R292 PolarHBondContact O-N 3Å; V290-R292 VanDerWaalsContact O-N 3.14Å; V290-A294 HydrophobicContact CB-CB 4.08Å; V290-A294 WeakPolarHBondContact O-CA 3.12Å; V290-A294 WeakPolarHBondContact O-CB 3.28Å; V290-A294 PolarHBondContact O-N 2.68Å; V290-Y320 HydrophobicContact CB-CD2 4.02Å; V290-Y320 HydrophobicContact CB-CE2 4.37Å; V290-Y320 HydrophobicContact CB-CG 4.37Å; V290-Y320 HydrophobicContact CG1-CD1 4.29Å; V290-Y320 HydrophobicContact CG1-CD2 4.14Å; V290-Y320 HydrophobicContact CG1-CE1 4.46Å; V290-Y320 HydrophobicContact CG1-CE2 4.37Å; V290-Y320 HydrophobicContact CG1-CG 4.12Å; V290-Y320 HydrophobicContact CG2-CD2 4.2Å; V290-Y320 HydrophobicContact CG2-CG 4.34Å; V290-P357 HydrophobicContact CG1-CB 4.42Å; V290-P357 HydrophobicContact CG1-CG 3.63Å
291	D	98.8	Very high	98.9	Very high	23 Å²	23	6.2 Å²	6.2	12%	0.123	3%	0.031	C	C	.	.	H	α-helix	trans	-47.4	-43.4	170.1	-71.1	-25.8	0	0	0	112.1	M138 G280 A281 F282 K285 K289 A295	M138-D291 WeakPolarHBondContact CE-OD1 3.31Å; G280-D291 VanDerWaalsContact CA-CG 3.47Å; A281-D291 WeakPolarHBondContact O-CB 3.28Å; F282-D291 WeakPolarHBondContact CD1-O 3.5Å; F282-D291 VanDerWaalsContact CE1-O 3.25Å; F282-D291 WeakPolarHBondContact CE1-O 3.21Å; K285-D291 HydrophobicContact CD-CB 4.49Å; K285-D291 IonicContact NZ-OD2 3.7Å; K285-D291 PolarHBondContact NZ-OD2 2.97Å; K289-D291 PolarHBondContact O-N 2.63Å; K289-D291 VanDerWaalsContact O-N 3.12Å; D291-A295 WeakPolarHBondContact O-CB 3.35Å
292	R	98.9	Very high	98.9	Very high	1 Å²	1	5.6 Å²	5.6	0%	0.004	3%	0.026	C	C	.	.	H	α-helix	trans	-90.4	-58.7	-180	169.8	174.1	-91.4	-179.4	-9.9	111.6	D39 F282 K285 K289 V290 A294 A295 Y296	D39-R292 IonicContact OD1-CZ 2.78Å; D39-R292 VanDerWaalsContact OD1-CZ 3.25Å; D39-R292 IonicContact OD1-NH1 2.73Å; D39-R292 PolarHBondContact OD1-NH1 3.28Å; D39-R292 IonicContact OD1-NH2 2.84Å; D39-R292 PolarHBondContact OD1-NH2 2.82Å; D39-R292 IonicContact OD2-CZ 2.73Å; D39-R292 IonicContact OD2-NH2 2.72Å; D39-R292 PolarHBondContact OD2-NH2 2.86Å; F282-R292 VanDerWaalsContact C-NH2 3.26Å; F282-R292 HydrophobicContact CB-CB 4.46Å; F282-R292 HydrophobicContact CD1-CB 4.31Å; F282-R292 PolarHBondContact O-NE 3.02Å; F282-R292 PolarHBondContact O-NH1 2.9Å; F282-R292 PolarHBondContact O-NH2 3.07Å; K285-R292 WeakPolarHBondContact O-CD 3.37Å; K285-R292 PolarHBondContact O-NH1 3.18Å; K289-R292 PolarHBondContact O-N 3.46Å; K289-R292 VanDerWaalsContact O-N 3.08Å; V290-R292 PolarHBondContact O-N 3Å; V290-R292 VanDerWaalsContact O-N 3.14Å; R292-A294 PolarHBondContact O-N 3.35Å; R292-A295 PolarHBondContact O-N 3.39Å; R292-Y296 HydrophobicContact CG-CD2 4.36Å; R292-Y296 HydrophobicContact CG-CE1 4.17Å; R292-Y296 HydrophobicContact CG-CE2 3.92Å; R292-Y296 WeakPolarHBondContact O-CD1 3.42Å; R292-Y296 PolarHBondContact O-N 3.18Å
293	S	98.9	Very high	98.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-65.9	-41	-169.7	54.9	0	0	0	0	112.2	Y287 K289 Y296 A297	Y287-S293 WeakPolarHBondContact O-CB 3.32Å; Y287-S293 PolarHBondContact O-OG 3.35Å; K289-S293 PolarHBondContact O-N 3.06Å; K289-S293 PolarHBondContact O-OG 3.26Å; S293-Y296 PolarHBondContact O-N 3.15Å; S293-A297 WeakPolarHBondContact O-CB 3.49Å; S293-A297 PolarHBondContact O-N 3.08Å
294	A	98.9	Very high	98.9	Very high	1 Å²	1	6 Å²	6	1%	0.008	3%	0.028	C	C	.	.	H	α-helix	trans	-76.6	-29.7	178.6	0	0	0	0	0	112.5	M138 V290 R292 A297 A298 V318 Y320	M138-A294 HydrophobicContact CB-CB 4.47Å; M138-A294 HydrophobicContact CG-CB 4.23Å; M138-A294 HydrophobicContact SD-CB 4.09Å; V290-A294 HydrophobicContact CB-CB 4.08Å; V290-A294 WeakPolarHBondContact O-CA 3.12Å; V290-A294 WeakPolarHBondContact O-CB 3.28Å; V290-A294 PolarHBondContact O-N 2.68Å; R292-A294 PolarHBondContact O-N 3.35Å; A294-A297 PolarHBondContact O-N 3.29Å; A294-A298 WeakPolarHBondContact O-CB 3.34Å; A294-A298 PolarHBondContact O-N 2.97Å; A294-V318 HydrophobicContact CB-CG2 4Å; A294-Y320 HydrophobicContact CB-CD2 4.34Å; A294-Y320 HydrophobicContact CB-CE2 3.46Å; A294-Y320 VanDerWaalsContact CB-CE2 3.46Å
295	A	98.9	Very high	98.9	Very high	4 Å²	4	6 Å²	6	3%	0.033	3%	0.028	C	C	.	.	H	α-helix	trans	-64.6	-42.8	169.8	0	0	0	0	0	111.7	M138 F282 D291 R292 A298 R299	M138-A295 HydrophobicContact CB-CB 4.21Å; M138-A295 HydrophobicContact CG-CB 4.47Å; F282-A295 HydrophobicContact CE1-CB 3.66Å; F282-A295 HydrophobicContact CZ-CB 3.97Å; D291-A295 WeakPolarHBondContact O-CB 3.35Å; R292-A295 PolarHBondContact O-N 3.39Å; A295-A298 PolarHBondContact O-N 3.42Å; A295-R299 WeakPolarHBondContact O-CB 3.32Å; A295-R299 PolarHBondContact O-N 3Å
296	Y	98.9	Very high	98.9	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63	-43.9	174.2	-70	6.2	0	0	0	111.5	F282 R292 S293 R299 W300 L366 Y371 H379 F380 W387	F282-Y296 HydrophobicContact CD2-CE1 4.44Å; R292-Y296 HydrophobicContact CG-CD2 4.36Å; R292-Y296 HydrophobicContact CG-CE1 4.17Å; R292-Y296 HydrophobicContact CG-CE2 3.92Å; R292-Y296 WeakPolarHBondContact O-CD1 3.42Å; R292-Y296 PolarHBondContact O-N 3.18Å; S293-Y296 PolarHBondContact O-N 3.15Å; Y296-R299 WeakPolarHBondContact O-CB 3.33Å; Y296-R299 PolarHBondContact O-N 2.74Å; Y296-W300 WeakPolarHBondContact O-CB 3.45Å; Y296-W300 PolarHBondContact O-N 3.01Å; Y296-L366 HydrophobicContact CD2-CD2 4Å; Y296-L366 HydrophobicContact CE2-CD2 4.45Å; Y296-Y371 HydrophobicContact CE2-CE1 4.36Å; Y296-H379 HydrophobicContact CE1-CB 4.06Å; Y296-H379 AromaticContact CE1-ND1 3.63Å; Y296-H379 AromaticContact CZ-ND1 3.57Å; Y296-H379 PolarHBondContact OH-CE1 3.42Å; Y296-H379 PolarHBondContact OH-ND1 2.92Å; Y296-F380 AromaticContact CD1-CE1 3.58Å; Y296-F380 HydrophobicContact CD1-CE1 3.58Å; Y296-F380 AromaticContact CD1-CZ 3.98Å; Y296-F380 HydrophobicContact CD1-CZ 3.98Å; Y296-F380 HydrophobicContact CE1-CE1 4.06Å; Y296-F380 HydrophobicContact CE1-CZ 4.44Å; Y296-F380 HydrophobicContact CG-CE1 4.44Å; Y296-W387 AromaticContact CD2-CD2 3.73Å; Y296-W387 HydrophobicContact CD2-CD2 3.73Å; Y296-W387 AromaticContact CD2-CE3 3.4Å; Y296-W387 HydrophobicContact CD2-CE3 3.4Å; Y296-W387 AromaticContact CD2-CH2 3.75Å; Y296-W387 HydrophobicContact CD2-CH2 3.75Å; Y296-W387 HydrophobicContact CD2-CZ2 4.04Å; Y296-W387 AromaticContact CD2-CZ3 3.42Å; Y296-W387 HydrophobicContact CD2-CZ3 3.42Å; Y296-W387 VanDerWaalsContact CD2-CZ3 3.42Å; Y296-W387 HydrophobicContact CE1-CZ2 4.47Å; Y296-W387 HydrophobicContact CE2-CD2 4.26Å; Y296-W387 AromaticContact CE2-CE3 3.91Å; Y296-W387 HydrophobicContact CE2-CE3 3.91Å; Y296-W387 AromaticContact CE2-CH2 3.32Å; Y296-W387 HydrophobicContact CE2-CH2 3.32Å; Y296-W387 AromaticContact CE2-CZ2 3.69Å; Y296-W387 HydrophobicContact CE2-CZ2 3.69Å; Y296-W387 AromaticContact CE2-CZ3 3.44Å; Y296-W387 HydrophobicContact CE2-CZ3 3.44Å; Y296-W387 VanDerWaalsContact CE2-CZ3 3.44Å; Y296-W387 AromaticContact CG-CD2 3.93Å; Y296-W387 HydrophobicContact CG-CD2 3.93Å; Y296-W387 HydrophobicContact CG-CE3 4.04Å; Y296-W387 HydrophobicContact CG-CG 4.34Å; Y296-W387 HydrophobicContact CG-CZ3 4.42Å; Y296-W387 AromaticContact CZ-CH2 3.95Å; Y296-W387 AromaticContact CZ-CZ2 3.93Å; Y296-W387 WeakPolarHBondContact O-CB 3.48Å
297	A	98.9	Very high	98.9	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.008	4%	0.043	C	C	.	.	H	α-helix	trans	-65.2	-39.6	176.3	0	0	0	0	0	112.1	S293 A294 W300 V301 L355 I360 L364	S293-A297 WeakPolarHBondContact O-CB 3.49Å; S293-A297 PolarHBondContact O-N 3.08Å; A294-A297 PolarHBondContact O-N 3.29Å; A297-W300 WeakPolarHBondContact O-CB 3.29Å; A297-W300 PolarHBondContact O-N 3.27Å; A297-V301 WeakPolarHBondContact O-CG2 3.36Å; A297-V301 PolarHBondContact O-N 3.04Å; A297-L355 HydrophobicContact CB-CD2 4.03Å; A297-I360 HydrophobicContact CB-CD1 3.69Å; A297-I360 HydrophobicContact CB-CG1 3.92Å; A297-I360 HydrophobicContact CB-CG2 3.99Å; A297-L364 HydrophobicContact CB-CD1 4.35Å
298	A	98.9	Very high	98.9	Very high	1 Å²	1	10 Å²	10	1%	0.008	5%	0.051	C	C	.	.	H	α-helix	trans	-65.4	-40.4	176.2	0	0	0	0	0	111.3	G140 A294 A295 W300 V301 A302 V316 V318	G140-A298 WeakPolarHBondContact CA-O 3.36Å; G140-A298 VanDerWaalsContact N-CB 3.33Å; A294-A298 WeakPolarHBondContact O-CB 3.34Å; A294-A298 PolarHBondContact O-N 2.97Å; A295-A298 PolarHBondContact O-N 3.42Å; A298-W300 VanDerWaalsContact C-N 3.32Å; A298-V301 PolarHBondContact O-N 3.45Å; A298-A302 WeakPolarHBondContact O-CB 3.42Å; A298-A302 PolarHBondContact O-N 3.05Å; A298-V316 HydrophobicContact CB-CG1 4.29Å; A298-V318 HydrophobicContact CB-CG2 4.43Å
299	R	98.9	Very high	98.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.3	-47	169.9	168.1	61.7	178.5	174.2	1.7	111	Y141 E148 C149 A295 Y296 V301 A302 K303 F380 E388	Y141-R299 WeakPolarHBondContact O-CD 3.45Å; Y141-R299 PolarHBondContact O-NH1 3.37Å; E148-R299 PolarHBondContact O-NH2 3.08Å; C149-R299 PolarHBondContact O-NH1 3.41Å; A295-R299 WeakPolarHBondContact O-CB 3.32Å; A295-R299 PolarHBondContact O-N 3Å; Y296-R299 WeakPolarHBondContact O-CB 3.33Å; Y296-R299 PolarHBondContact O-N 2.74Å; R299-V301 VanDerWaalsContact C-N 3.34Å; R299-V301 PolarHBondContact O-N 3.11Å; R299-A302 PolarHBondContact O-N 2.91Å; R299-K303 WeakPolarHBondContact O-CB 3.46Å; R299-K303 PolarHBondContact O-N 3.45Å; R299-F380 HydrophobicContact CB-CD1 3.96Å; R299-F380 HydrophobicContact CB-CE1 3.73Å; R299-F380 HydrophobicContact CB-CE2 4.4Å; R299-F380 HydrophobicContact CB-CG 4.4Å; R299-F380 HydrophobicContact CB-CZ 3.97Å; R299-F380 HydrophobicContact CG-CB 4.34Å; R299-F380 HydrophobicContact CG-CD1 3.54Å; R299-F380 HydrophobicContact CG-CD2 4.43Å; R299-F380 HydrophobicContact CG-CE1 3.87Å; R299-F380 HydrophobicContact CG-CG 3.85Å; R299-F380 HydrophobicContact CG-CZ 4.43Å; R299-E388 IonicContact CZ-OE1 2.69Å; R299-E388 IonicContact CZ-OE2 2.61Å; R299-E388 IonicContact NE-OE1 3.45Å; R299-E388 PolarHBondContact NE-OE1 2.83Å; R299-E388 IonicContact NE-OE2 3.28Å; R299-E388 IonicContact NH2-OE1 3.18Å; R299-E388 PolarHBondContact NH2-OE1 3.49Å; R299-E388 IonicContact NH2-OE2 3.33Å; R299-E388 PolarHBondContact NH2-OE2 3.41Å
300	W	98.9	Very high	98.8	Very high	22 Å²	22	18.1 Å²	18.1	8%	0.083	9%	0.09	C	C	.	.	H	α-helix	trans	-60.3	-43.4	179.2	-179.5	49.6	0	0	0	112.2	Y296 A297 A298 S304 F353 E363 L364 W387 V389 K391	Y296-W300 WeakPolarHBondContact O-CB 3.45Å; Y296-W300 PolarHBondContact O-N 3.01Å; A297-W300 WeakPolarHBondContact O-CB 3.29Å; A297-W300 PolarHBondContact O-N 3.27Å; A298-W300 VanDerWaalsContact C-N 3.32Å; W300-S304 VanDerWaalsContact O-CB 3.27Å; W300-S304 WeakPolarHBondContact O-CB 3.49Å; W300-S304 PolarHBondContact O-N 3.31Å; W300-S304 PolarHBondContact O-OG 3.4Å; W300-F353 HydrophobicContact CD2-CD1 4.29Å; W300-F353 AromaticContact CD2-CE1 3.7Å; W300-F353 HydrophobicContact CD2-CE1 3.7Å; W300-F353 AromaticContact CE2-CE1 3.96Å; W300-F353 AromaticContact CE3-CD1 3.59Å; W300-F353 HydrophobicContact CE3-CD1 3.59Å; W300-F353 AromaticContact CE3-CE1 3.47Å; W300-F353 HydrophobicContact CE3-CE1 3.47Å; W300-F353 VanDerWaalsContact CE3-CE1 3.47Å; W300-F353 HydrophobicContact CH2-CD1 4.03Å; W300-F353 AromaticContact CH2-CE1 3.9Å; W300-F353 HydrophobicContact CH2-CE1 3.9Å; W300-F353 HydrophobicContact CZ2-CE1 4.08Å; W300-F353 AromaticContact CZ3-CD1 3.44Å; W300-F353 HydrophobicContact CZ3-CD1 3.44Å; W300-F353 VanDerWaalsContact CZ3-CD1 3.44Å; W300-F353 AromaticContact CZ3-CE1 3.59Å; W300-F353 HydrophobicContact CZ3-CE1 3.59Å; W300-E363 HydrophobicContact CH2-CB 4.02Å; W300-E363 HydrophobicContact CH2-CG 4.4Å; W300-E363 WeakPolarHBondContact CH2-OE2 3.39Å; W300-E363 HydrophobicContact CZ3-CB 4.14Å; W300-L364 HydrophobicContact CD2-CD2 3.95Å; W300-L364 HydrophobicContact CE3-CD2 4.07Å; W300-L364 HydrophobicContact CG-CD2 4.2Å; W300-L364 HydrophobicContact CZ3-CD2 4.47Å; W300-W387 WeakPolarHBondContact CA-O 3.48Å; W300-W387 HydrophobicContact CB-CB 4.04Å; W300-V389 VanDerWaalsContact CD1-O 3.23Å; W300-V389 PolarHBondContact NE1-O 3.19Å; W300-K391 HydrophobicContact CH2-CB 4.41Å; W300-K391 HydrophobicContact CH2-CD 3.65Å; W300-K391 HydrophobicContact CH2-CG 4.36Å; W300-K391 HydrophobicContact CZ2-CB 3.61Å; W300-K391 HydrophobicContact CZ2-CD 3.68Å; W300-K391 HydrophobicContact CZ2-CG 3.88Å; W300-K391 HydrophobicContact CZ3-CD 4.49Å
301	V	98.9	Very high	98.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-52.4	172.7	173	0	0	0	0	110.6	A297 A298 R299 K303 S304 L305 V316 V349 F353 L355	A297-V301 WeakPolarHBondContact O-CG2 3.36Å; A297-V301 PolarHBondContact O-N 3.04Å; A298-V301 PolarHBondContact O-N 3.45Å; R299-V301 VanDerWaalsContact C-N 3.34Å; R299-V301 PolarHBondContact O-N 3.11Å; V301-K303 PolarHBondContact O-N 3.39Å; V301-S304 PolarHBondContact O-N 3.08Å; V301-L305 HydrophobicContact CG1-CD1 4.15Å; V301-L305 WeakPolarHBondContact O-CG 3.49Å; V301-L305 PolarHBondContact O-N 2.97Å; V301-V316 HydrophobicContact CG1-CG1 4.3Å; V301-V316 HydrophobicContact CG1-CG2 4.01Å; V301-V349 HydrophobicContact CG1-CB 4.41Å; V301-V349 HydrophobicContact CG1-CG1 3.85Å; V301-V349 HydrophobicContact CG1-CG2 3.6Å; V301-V349 HydrophobicContact CG2-CG1 4.42Å; V301-F353 HydrophobicContact CG1-CE2 4.38Å; V301-F353 HydrophobicContact CG2-CB 4.29Å; V301-F353 HydrophobicContact CG2-CD1 3.7Å; V301-F353 HydrophobicContact CG2-CD2 3.88Å; V301-F353 HydrophobicContact CG2-CE1 3.9Å; V301-F353 HydrophobicContact CG2-CE2 4.05Å; V301-F353 HydrophobicContact CG2-CG 3.69Å; V301-F353 HydrophobicContact CG2-CZ 4.06Å; V301-L355 HydrophobicContact CG2-CD2 4.26Å
302	A	98.9	Very high	98.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-48.8	-178.1	0	0	0	0	0	111.8	A142 A298 R299 S304 L305 V306 V314 V316	A142-A302 HydrophobicContact CB-CB 3.89Å; A298-A302 WeakPolarHBondContact O-CB 3.42Å; A298-A302 PolarHBondContact O-N 3.05Å; R299-A302 PolarHBondContact O-N 2.91Å; A302-S304 VanDerWaalsContact C-N 3.33Å; A302-S304 PolarHBondContact O-N 3.07Å; A302-L305 PolarHBondContact O-N 3.12Å; A302-V306 PolarHBondContact O-N 3.15Å; A302-V306 VanDerWaalsContact O-N 3.14Å; A302-V314 HydrophobicContact CB-CG1 3.84Å; A302-V316 HydrophobicContact CB-CG2 3.93Å
303	K	98.9	Very high	98.8	Very high	11 Å²	11	22.8 Å²	22.8	5%	0.048	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-38.3	178.2	-167.4	176.8	-170	-176.5	0	111.8	C149 R299 V301 V306 K307 E388	C149-K303 HydrophobicContact CB-CG 4.09Å; R299-K303 WeakPolarHBondContact O-CB 3.46Å; R299-K303 PolarHBondContact O-N 3.45Å; V301-K303 PolarHBondContact O-N 3.39Å; K303-V306 PolarHBondContact O-N 3.34Å; K303-K307 HydrophobicContact CG-CG 4.21Å; K303-K307 WeakPolarHBondContact O-CB 3.43Å; K303-K307 WeakPolarHBondContact O-CG 3.44Å; K303-K307 PolarHBondContact O-N 3.36Å; K303-E388 WeakPolarHBondContact CD-O 3.49Å; K303-E388 WeakPolarHBondContact CD-OE2 3.48Å; K303-E388 WeakPolarHBondContact CE-O 3.17Å; K303-E388 WeakPolarHBondContact CE-OE2 3.27Å; K303-E388 PolarHBondContact NZ-O 3.24Å; K303-E388 IonicContact NZ-OE2 3.49Å; K303-E388 PolarHBondContact NZ-OE2 2.93Å
304	S	98.9	Very high	98.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	11%	0.109	C	C	.	.	H	α-helix	trans	-64	-39.3	176.6	-58.1	0	0	0	0	112.2	W300 V301 A302 A308 K391	W300-S304 VanDerWaalsContact O-CB 3.27Å; W300-S304 WeakPolarHBondContact O-CB 3.49Å; W300-S304 PolarHBondContact O-N 3.31Å; W300-S304 PolarHBondContact O-OG 3.4Å; V301-S304 PolarHBondContact O-N 3.08Å; A302-S304 VanDerWaalsContact C-N 3.33Å; A302-S304 PolarHBondContact O-N 3.07Å; S304-A308 WeakPolarHBondContact O-CB 3.45Å; S304-A308 PolarHBondContact O-N 3.06Å; S304-K391 PolarHBondContact OG-N 3.28Å
305	L	98.9	Very high	98.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.1	-44	176.1	-69	171.1	0	0	0	111.9	V301 A302 A308 E309 L310 V314 V349 L393	V301-L305 HydrophobicContact CG1-CD1 4.15Å; V301-L305 WeakPolarHBondContact O-CG 3.49Å; V301-L305 PolarHBondContact O-N 2.97Å; A302-L305 PolarHBondContact O-N 3.12Å; L305-A308 PolarHBondContact O-N 3.38Å; L305-E309 PolarHBondContact O-N 2.87Å; L305-L310 HydrophobicContact CD2-CD1 3.78Å; L305-L310 PolarHBondContact O-N 2.77Å; L305-L310 VanDerWaalsContact O-N 3.14Å; L305-V314 HydrophobicContact CB-CG1 4.4Å; L305-V314 HydrophobicContact CD1-CG1 4.48Å; L305-V314 HydrophobicContact CD1-CG2 4.13Å; L305-V349 HydrophobicContact CD1-CG2 4.03Å; L305-V349 HydrophobicContact CD2-CG2 4.21Å; L305-V349 HydrophobicContact CG-CG2 4.45Å; L305-L393 HydrophobicContact CD2-CD1 3.82Å
306	V	98.9	Very high	98.9	Very high	11 Å²	11	23.2 Å²	23.2	7%	0.067	11%	0.111	C	C	.	.	H	α-helix	trans	-67.7	-46.8	178.2	174.3	0	0	0	0	111.5	A142 D144 A302 K303 A308 E309 C311 V314	A142-V306 HydrophobicContact CB-CB 4.23Å; A142-V306 HydrophobicContact CB-CG2 3.65Å; D144-V306 HydrophobicContact CB-CG1 4.12Å; A302-V306 PolarHBondContact O-N 3.15Å; A302-V306 VanDerWaalsContact O-N 3.14Å; K303-V306 PolarHBondContact O-N 3.34Å; V306-A308 PolarHBondContact O-N 3.01Å; V306-E309 WeakPolarHBondContact O-CA 3.39Å; V306-E309 PolarHBondContact O-N 2.85Å; V306-C311 WeakPolarHBondContact CA-O 3.36Å; V306-V314 HydrophobicContact CG2-CG1 3.94Å
307	K	98.6	Very high	98.9	Very high	81 Å²	81	25.4 Å²	25.4	35%	0.352	12%	0.121	S	C	.	.	H	α-helix	trans	-69.1	-18.2	177.9	-69.9	-65	-158	-174.8	0	113.5	E147 C149 K303 E309 P390	E147-K307 WeakPolarHBondContact O-CE 3.4Å; E147-K307 PolarHBondContact O-NZ 2.75Å; E147-K307 IonicContact OE1-NZ 3.04Å; E147-K307 PolarHBondContact OE1-NZ 3.48Å; C149-K307 VanDerWaalsContact SG-CE 3.51Å; K303-K307 HydrophobicContact CG-CG 4.21Å; K303-K307 WeakPolarHBondContact O-CB 3.43Å; K303-K307 WeakPolarHBondContact O-CG 3.44Å; K303-K307 PolarHBondContact O-N 3.36Å; K307-E309 VanDerWaalsContact C-N 3.26Å; K307-P390 HydrophobicContact CB-CB 3.88Å; K307-P390 HydrophobicContact CB-CG 4.07Å; K307-P390 HydrophobicContact CG-CB 4.16Å; K307-P390 HydrophobicContact CG-CG 4.1Å
308	A	98.7	Very high	98.8	Very high	26 Å²	26	25.4 Å²	25.4	22%	0.215	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	5.4	169.3	0	0	0	0	0	113.1	S304 L305 V306 L310 L393 Y395	S304-A308 WeakPolarHBondContact O-CB 3.45Å; S304-A308 PolarHBondContact O-N 3.06Å; L305-A308 PolarHBondContact O-N 3.38Å; V306-A308 PolarHBondContact O-N 3.01Å; A308-L310 HydrophobicContact CB-CD1 4.31Å; A308-L310 HydrophobicContact CB-CG 4.18Å; A308-L310 PolarHBondContact O-N 3.31Å; A308-L310 VanDerWaalsContact O-N 3.1Å; A308-L393 HydrophobicContact CB-CD1 3.98Å; A308-L393 HydrophobicContact CB-CG 4.43Å; A308-Y395 HydrophobicContact CB-CE1 4.49Å; A308-Y395 PolarHBondContact O-OH 3.01Å
309	E	98.5	Very high	98.8	Very high	180 Å²	180	26 Å²	26	84%	0.841	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	25.1	-179.7	-55.8	-179.5	170.2	0	0	113.4	L305 V306 K307	L305-E309 PolarHBondContact O-N 2.87Å; V306-E309 WeakPolarHBondContact O-CA 3.39Å; V306-E309 PolarHBondContact O-N 2.85Å; K307-E309 VanDerWaalsContact C-N 3.26Å
310	L	98.8	Very high	98.8	Very high	16 Å²	16	26.3 Å²	26.3	8%	0.084	13%	0.127	C	C	.	.	S	Bend	trans	-78.5	-25.2	175.9	-71.2	176.9	0	0	0	112	L305 A308 S338 K340 L345 I348 L393 Y395	L305-L310 HydrophobicContact CD2-CD1 3.78Å; L305-L310 PolarHBondContact O-N 2.77Å; L305-L310 VanDerWaalsContact O-N 3.14Å; A308-L310 HydrophobicContact CB-CD1 4.31Å; A308-L310 HydrophobicContact CB-CG 4.18Å; A308-L310 PolarHBondContact O-N 3.31Å; A308-L310 VanDerWaalsContact O-N 3.1Å; L310-S338 WeakPolarHBondContact O-CB 3.36Å; L310-S338 PolarHBondContact O-OG 3.09Å; L310-S338 VanDerWaalsContact O-OG 3.04Å; L310-K340 HydrophobicContact CD2-CD 4.06Å; L310-L345 HydrophobicContact CB-CD2 4.01Å; L310-L345 HydrophobicContact CD1-CD2 4.3Å; L310-I348 HydrophobicContact CD1-CD1 4.14Å; L310-I348 HydrophobicContact CD1-CG2 4.35Å; L310-L393 HydrophobicContact CD1-CD1 3.85Å; L310-Y395 HydrophobicContact CD1-CD1 4.1Å; L310-Y395 HydrophobicContact CD1-CE1 3.87Å; L310-Y395 HydrophobicContact CD2-CD2 4.14Å; L310-Y395 HydrophobicContact CD2-CE1 4.15Å; L310-Y395 HydrophobicContact CD2-CE2 3.6Å; L310-Y395 HydrophobicContact CG-CE1 4.2Å; L310-Y395 HydrophobicContact CG-CE2 4.49Å
311	C	98.8	Very high	98.8	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.034	13%	0.134	C	C	.	.			trans	-155.8	162.9	175.5	56.4	0	0	0	0	109.6	V306 H334 T337	V306-C311 WeakPolarHBondContact CA-O 3.36Å; C311-H334 HydrophobicContact CB-CB 4.21Å; C311-T337 WeakPolarHBondContact CA-O 3.21Å
312	K	98.8	Very high	98.8	Very high	92 Å²	92	30.4 Å²	30.4	40%	0.4	15%	0.154	S	C	.	.	S	Bend	trans	-94.7	-30.1	173.6	-63.5	-173.8	168.2	-165.7	0	112.7	T143 D144 A194 T337	T143-K312 CarbonylContact C-O 3.53Å; T143-K312 WeakPolarHBondContact CA-O 3.48Å; D144-K312 HydrophobicContact CB-CB 4.36Å; D144-K312 PolarHBondContact N-O 2.95Å; D144-K312 WeakPolarHBondContact OD2-CB 3.47Å; D144-K312 VanDerWaalsContact OD2-CD 3.29Å; D144-K312 WeakPolarHBondContact OD2-CD 3.36Å; D144-K312 VanDerWaalsContact OD2-CG 3.27Å; D144-K312 WeakPolarHBondContact OD2-CG 3.36Å; A194-K312 HydrophobicContact CB-CB 3.94Å; A194-K312 HydrophobicContact CB-CD 3.79Å; K312-T337 HydrophobicContact CB-CG2 4.15Å; K312-T337 PolarHBondContact N-OG1 2.82Å; K312-T337 VanDerWaalsContact N-OG1 3.09Å
313	R	98.8	Very high	98.7	Very high	26 Å²	26	31.2 Å²	31.2	10%	0.098	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	132.1	179.5	-170.3	172.3	68.4	163.5	-2.4	110.1	Y141 A142 G193 M195 H334 Y335 T337	Y141-R313 HydrophobicContact CE2-CG 3.73Å; Y141-R313 WeakPolarHBondContact OH-CD 3.36Å; A142-R313 WeakPolarHBondContact O-CA 3.35Å; G193-R313 PolarHBondContact O-NE 3.05Å; G193-R313 PolarHBondContact O-NH2 3.16Å; M195-R313 VanDerWaalsContact CG-NH1 3.34Å; M195-R313 PolarHBondContact SD-NH1 3.4Å; R313-H334 CarbonylContact O-C 3.51Å; R313-H334 VanDerWaalsContact O-C 3.27Å; R313-H334 WeakPolarHBondContact O-CA 3.32Å; R313-H334 VanDerWaalsContact O-O 3.04Å; R313-Y335 HydrophobicContact CB-CD2 4.26Å; R313-Y335 HydrophobicContact CG-CD2 3.83Å; R313-Y335 HydrophobicContact CG-CE2 4.15Å; R313-Y335 HydrophobicContact CG-CG 4.48Å; R313-Y335 VanDerWaalsContact NH2-CD1 3.33Å; R313-T337 HydrophobicContact CB-CG2 4.15Å; R313-T337 PolarHBondContact N-OG1 3.17Å; R313-T337 PolarHBondContact O-OG1 2.88Å; R313-T337 VanDerWaalsContact O-OG1 3.1Å
314	V	98.9	Very high	98.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	140.3	-178.2	67.8	0	0	0	0	112.6	Y141 A142 A302 L305 V306 V316 I332 F333	Y141-V314 WeakPolarHBondContact CA-O 3.39Å; Y141-V314 VanDerWaalsContact CD2-O 3.31Å; Y141-V314 WeakPolarHBondContact CD2-O 3.26Å; A142-V314 HydrophobicContact CB-CG1 4.39Å; A142-V314 PolarHBondContact N-O 3.23Å; A142-V314 VanDerWaalsContact N-O 3.13Å; A142-V314 PolarHBondContact O-N 3.13Å; A302-V314 HydrophobicContact CB-CG1 3.84Å; L305-V314 HydrophobicContact CB-CG1 4.4Å; L305-V314 HydrophobicContact CD1-CG1 4.48Å; L305-V314 HydrophobicContact CD1-CG2 4.13Å; V306-V314 HydrophobicContact CG2-CG1 3.94Å; V314-V316 HydrophobicContact CG2-CG2 4.32Å; V314-I332 HydrophobicContact CG2-CG2 3.74Å; V314-F333 CarbonylContact C-O 3.57Å; V314-F333 VanDerWaalsContact CA-O 3.3Å; V314-F333 WeakPolarHBondContact CA-O 3.4Å
315	L	98.9	Very high	98.7	Very high	14 Å²	14	34 Å²	34	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.7	167.2	-179.9	67.6	0	0	0	108.6	F139 G140 A276 F333 Y335	F139-L315 HydrophobicContact CB-CD1 3.98Å; F139-L315 HydrophobicContact CD1-CD1 3.71Å; F139-L315 HydrophobicContact CD1-CD2 4.12Å; F139-L315 HydrophobicContact CD1-CG 3.94Å; F139-L315 HydrophobicContact CE1-CD2 4.24Å; F139-L315 HydrophobicContact CE1-CG 4.49Å; F139-L315 HydrophobicContact CG-CD1 4.21Å; G140-L315 CarbonylContact O-C 3.43Å; G140-L315 WeakPolarHBondContact O-CA 3.4Å; A276-L315 HydrophobicContact CB-CD1 4.19Å; A276-L315 HydrophobicContact CB-CD2 4.02Å; L315-F333 HydrophobicContact CB-CB 4.28Å; L315-F333 HydrophobicContact CB-CD2 4.26Å; L315-F333 HydrophobicContact CD2-CD2 4.11Å; L315-F333 HydrophobicContact CG-CD2 4.21Å; L315-F333 PolarHBondContact N-O 3.17Å; L315-F333 PolarHBondContact O-N 2.89Å; L315-Y335 HydrophobicContact CB-CE2 3.84Å
316	V	98.9	Very high	98.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.1	178.1	179.8	0	0	0	0	107.2	F139 G140 A298 V301 A302 V314 V318 S331 I332	F139-V316 CarbonylContact C-O 3.4Å; F139-V316 WeakPolarHBondContact CA-O 3.42Å; G140-V316 PolarHBondContact N-O 3.29Å; G140-V316 PolarHBondContact O-N 3.13Å; A298-V316 HydrophobicContact CB-CG1 4.29Å; V301-V316 HydrophobicContact CG1-CG1 4.3Å; V301-V316 HydrophobicContact CG1-CG2 4.01Å; A302-V316 HydrophobicContact CB-CG2 3.93Å; V314-V316 HydrophobicContact CG2-CG2 4.32Å; V316-V318 HydrophobicContact CG1-CG1 4.44Å; V316-S331 CarbonylContact C-O 3.52Å; V316-S331 WeakPolarHBondContact CA-O 3.31Å; V316-I332 HydrophobicContact CB-CD1 4.28Å; V316-I332 HydrophobicContact CG1-CD1 3.92Å; V316-I332 HydrophobicContact CG2-CD1 3.81Å
317	Q	98.9	Very high	98.6	Very high	45 Å²	45	40 Å²	40	21%	0.21	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.7	171	-171.7	-176.5	44.7	0	0	109.5	M138 F139 I330 S331 F333	M138-Q317 WeakPolarHBondContact O-CA 3.2Å; F139-Q317 HydrophobicContact CD1-CB 3.8Å; F139-Q317 HydrophobicContact CD1-CG 3.99Å; F139-Q317 HydrophobicContact CE1-CB 3.59Å; F139-Q317 HydrophobicContact CE1-CG 3.51Å; F139-Q317 HydrophobicContact CZ-CB 4.44Å; F139-Q317 HydrophobicContact CZ-CG 3.86Å; Q317-I330 CarbonylContact O-C 3.27Å; Q317-I330 VanDerWaalsContact O-CA 3.29Å; Q317-I330 WeakPolarHBondContact O-CA 3.38Å; Q317-S331 PolarHBondContact N-O 3.31Å; Q317-S331 PolarHBondContact O-N 2.81Å; Q317-F333 HydrophobicContact CB-CE2 4.42Å
318	V	98.8	Very high	98.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.5	168.1	-62.5	0	0	0	0	109.6	L137 M138 A294 A298 V316 Y320 S329 I330 L355	L137-V318 CarbonylContact C-O 3.55Å; L137-V318 VanDerWaalsContact CA-O 3.31Å; L137-V318 WeakPolarHBondContact CA-O 3.32Å; M138-V318 HydrophobicContact CB-CG2 3.92Å; M138-V318 PolarHBondContact N-O 2.99Å; M138-V318 PolarHBondContact O-N 3.39Å; A294-V318 HydrophobicContact CB-CG2 4Å; A298-V318 HydrophobicContact CB-CG2 4.43Å; V316-V318 HydrophobicContact CG1-CG1 4.44Å; V318-Y320 HydrophobicContact CB-CE2 4.21Å; V318-Y320 HydrophobicContact CG2-CE2 3.97Å; V318-S329 WeakPolarHBondContact CA-O 3.49Å; V318-I330 HydrophobicContact CG1-CG1 4.28Å; V318-I330 HydrophobicContact CG1-CG2 4.28Å; V318-L355 HydrophobicContact CG1-CD1 3.8Å
319	A	98.8	Very high	98.6	Very high	15 Å²	15	42.7 Å²	42.7	12%	0.124	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.5	175.8	0	0	0	0	0	112.1	G136 L137 P327 L328 S329	G136-A319 CarbonylContact O-C 3.51Å; G136-A319 WeakPolarHBondContact O-CA 3.32Å; G136-A319 WeakPolarHBondContact O-CB 3.3Å; L137-A319 HydrophobicContact CB-CB 4.14Å; A319-P327 CarbonylContact O-C 3.31Å; A319-P327 VanDerWaalsContact O-CA 3.26Å; A319-P327 WeakPolarHBondContact O-CA 3.44Å; A319-L328 PolarHBondContact O-N 3.21Å; A319-S329 PolarHBondContact N-O 3.49Å
320	Y	98.9	Very high	98.7	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.4	-177.2	-62.3	-98.3	0	0	0	111.3	A132 Q135 G136 M138 V290 A294 V318 P327 L355 P357	A132-Y320 HydrophobicContact CB-CD1 3.93Å; A132-Y320 HydrophobicContact CB-CG 3.99Å; Q135-Y320 VanDerWaalsContact CA-O 3.25Å; Q135-Y320 WeakPolarHBondContact CA-O 3.43Å; G136-Y320 PolarHBondContact N-O 3Å; G136-Y320 VanDerWaalsContact N-O 3.13Å; G136-Y320 PolarHBondContact O-N 3.14Å; M138-Y320 HydrophobicContact SD-CD2 4.08Å; M138-Y320 HydrophobicContact SD-CE2 4.38Å; V290-Y320 HydrophobicContact CB-CD2 4.02Å; V290-Y320 HydrophobicContact CB-CE2 4.37Å; V290-Y320 HydrophobicContact CB-CG 4.37Å; V290-Y320 HydrophobicContact CG1-CD1 4.29Å; V290-Y320 HydrophobicContact CG1-CD2 4.14Å; V290-Y320 HydrophobicContact CG1-CE1 4.46Å; V290-Y320 HydrophobicContact CG1-CE2 4.37Å; V290-Y320 HydrophobicContact CG1-CG 4.12Å; V290-Y320 HydrophobicContact CG2-CD2 4.2Å; V290-Y320 HydrophobicContact CG2-CG 4.34Å; A294-Y320 HydrophobicContact CB-CD2 4.34Å; A294-Y320 HydrophobicContact CB-CE2 3.46Å; A294-Y320 VanDerWaalsContact CB-CE2 3.46Å; V318-Y320 HydrophobicContact CB-CE2 4.21Å; V318-Y320 HydrophobicContact CG2-CE2 3.97Å; Y320-P327 HydrophobicContact CE1-CB 4.11Å; Y320-P327 HydrophobicContact CE1-CG 3.78Å; Y320-L355 WeakPolarHBondContact CE1-O 3.42Å; Y320-L355 PolarHBondContact OH-O 3.45Å; Y320-P357 HydrophobicContact CE1-CG 4.43Å
321	A	98.4	Very high	98.7	Very high	29 Å²	29	36.8 Å²	36.8	24%	0.24	21%	0.205	C	C	.	.			trans	-110.7	145.4	161.3	0	0	0	0	0	109	G323 V324 L328	A321-G323 PolarHBondContact O-N 2.77Å; A321-V324 HydrophobicContact CB-CB 4.37Å; A321-V324 HydrophobicContact CB-CG2 4.01Å; A321-V324 PolarHBondContact O-N 3.45Å; A321-L328 HydrophobicContact CB-CD1 3.91Å; A321-L328 HydrophobicContact CB-CD2 4.23Å; A321-L328 HydrophobicContact CB-CG 4.36Å
322	I	97.9	Very high	98.7	Very high	80 Å²	80	36.9 Å²	36.9	41%	0.41	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-53.9	134.8	176.7	-168.8	169.1	0	0	0	111	V121 A132 V324	V121-I322 HydrophobicContact CG2-CD1 4.44Å; V121-I322 HydrophobicContact CG2-CG1 4Å; A132-I322 WeakPolarHBondContact O-CA 3.23Å; I322-V324 PolarHBondContact O-N 3.22Å
323	G	97.8	Very high	98.7	Very high	16 Å²	16	36.2 Å²	36.2	17%	0.165	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-5.7	-179.2	0	0	0	0	0	115.4	G120 R125 A132 A321	G120-G323 WeakPolarHBondContact O-CA 3.39Å; R125-G323 VanDerWaalsContact CZ-O 3.31Å; R125-G323 PolarHBondContact NH1-O 3.04Å; R125-G323 PolarHBondContact NH2-O 2.66Å; A132-G323 PolarHBondContact O-N 2.87Å; A321-G323 PolarHBondContact O-N 2.77Å
324	V	98.6	Very high	98.7	Very high	63 Å²	63	36 Å²	36	38%	0.382	20%	0.202	S	C	.	.			trans	-98.6	125.8	175.6	-175.3	0	0	0	0	109.5	A132 A321 I322	A132-V324 WeakPolarHBondContact CB-O 3.23Å; A132-V324 PolarHBondContact N-O 2.84Å; A321-V324 HydrophobicContact CB-CB 4.37Å; A321-V324 HydrophobicContact CB-CG2 4.01Å; A321-V324 PolarHBondContact O-N 3.45Å; I322-V324 PolarHBondContact O-N 3.22Å
325	A	98.4	Very high	98.7	Very high	9 Å²	9	39.8 Å²	39.8	7%	0.074	22%	0.217	C	C	.	.			trans	-75.4	-45.3	-175.9	0	0	0	0	0	112.3	V130 R356 P357	V130-A325 WeakPolarHBondContact O-CB 3.37Å; A325-R356 HydrophobicContact CB-CG 4.07Å; A325-R356 WeakPolarHBondContact O-CA 3.42Å; A325-P357 WeakPolarHBondContact O-CD 3.31Å
326	H	98.7	Very high	98.6	Very high	109 Å²	109	41.9 Å²	41.9	51%	0.505	24%	0.242	S	C	.	.	S	Bend	trans	-76.8	146.4	-180	-75	-76.7	0	0	0	111.8	R356	H326-R356 VanDerWaalsContact CE1-CD 3.47Å; H326-R356 WeakPolarHBondContact CE1-CD 3.29Å
327	P	98.6	Very high	98.6	Very high	26 Å²	26	42.8 Å²	42.8	17%	0.169	25%	0.247	C	C	.	.			trans	-59.7	141.1	170.8	-16.1	26.5	0	0	0	111.4	A319 Y320 I330 L355	A319-P327 CarbonylContact O-C 3.31Å; A319-P327 VanDerWaalsContact O-CA 3.26Å; A319-P327 WeakPolarHBondContact O-CA 3.44Å; Y320-P327 HydrophobicContact CE1-CB 4.11Å; Y320-P327 HydrophobicContact CE1-CG 3.78Å; P327-I330 HydrophobicContact CB-CD1 4.46Å; P327-I330 HydrophobicContact CB-CG1 4.01Å; P327-I330 HydrophobicContact CG-CD1 4.22Å; P327-I330 HydrophobicContact CG-CG1 4.26Å; P327-L355 HydrophobicContact CG-CB 3.79Å
328	L	98.6	Very high	98.6	Very high	116 Å²	116	41.5 Å²	41.5	61%	0.607	24%	0.243	S	C	*	.	S	Bend	trans	-69.5	-37.6	170.9	-59.5	179.3	0	0	0	111.4	A319 A321	A319-L328 PolarHBondContact O-N 3.21Å; A321-L328 HydrophobicContact CB-CD1 3.91Å; A321-L328 HydrophobicContact CB-CD2 4.23Å; A321-L328 HydrophobicContact CB-CG 4.36Å
329	S	98.7	Very high	98.6	Very high	48 Å²	48	51.3 Å²	51.3	34%	0.336	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	150.8	179.5	64.6	0	0	0	0	111.2	V318 A319	V318-S329 WeakPolarHBondContact CA-O 3.49Å; A319-S329 PolarHBondContact N-O 3.49Å
330	I	98.9	Very high	98.6	Very high	36 Å²	36	53.5 Å²	53.5	19%	0.185	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	122.7	170	-53	172.9	0	0	0	106.5	Q317 V318 P327 L346 L355	Q317-I330 CarbonylContact O-C 3.27Å; Q317-I330 VanDerWaalsContact O-CA 3.29Å; Q317-I330 WeakPolarHBondContact O-CA 3.38Å; V318-I330 HydrophobicContact CG1-CG1 4.28Å; V318-I330 HydrophobicContact CG1-CG2 4.28Å; P327-I330 HydrophobicContact CB-CD1 4.46Å; P327-I330 HydrophobicContact CB-CG1 4.01Å; P327-I330 HydrophobicContact CG-CD1 4.22Å; P327-I330 HydrophobicContact CG-CG1 4.26Å; I330-L346 HydrophobicContact CB-CD1 3.84Å; I330-L346 HydrophobicContact CG2-CD1 3.56Å; I330-L355 HydrophobicContact CD1-CD1 3.95Å; I330-L355 HydrophobicContact CG1-CD1 4.45Å
331	S	98.9	Very high	98.5	Very high	36 Å²	36	55.4 Å²	55.4	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.9	179.3	-51.5	0	0	0	0	110.2	V316 Q317	V316-S331 CarbonylContact C-O 3.52Å; V316-S331 WeakPolarHBondContact CA-O 3.31Å; Q317-S331 PolarHBondContact N-O 3.31Å; Q317-S331 PolarHBondContact O-N 2.81Å
332	I	98.9	Very high	98.6	Very high	7 Å²	7	58 Å²	58	4%	0.036	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.5	178.2	-53.6	-63	0	0	0	108.1	V314 V316 E342 L345 L346 V349	V314-I332 HydrophobicContact CG2-CG2 3.74Å; V316-I332 HydrophobicContact CB-CD1 4.28Å; V316-I332 HydrophobicContact CG1-CD1 3.92Å; V316-I332 HydrophobicContact CG2-CD1 3.81Å; I332-E342 WeakPolarHBondContact O-CB 3.27Å; I332-E342 WeakPolarHBondContact O-CG 3.35Å; I332-L345 HydrophobicContact CG2-CB 4.02Å; I332-L345 HydrophobicContact CG2-CD1 4.12Å; I332-L346 HydrophobicContact CG1-CB 4.07Å; I332-L346 HydrophobicContact CG1-CD1 4.17Å; I332-V349 HydrophobicContact CD1-CG2 4.02Å
333	F	98.9	Very high	98.6	Very high	79 Å²	79	62.5 Å²	62.5	35%	0.346	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	111.2	175.7	-48.8	-78	0	0	0	109.2	V314 L315 Q317 E342	V314-F333 CarbonylContact C-O 3.57Å; V314-F333 VanDerWaalsContact CA-O 3.3Å; V314-F333 WeakPolarHBondContact CA-O 3.4Å; L315-F333 HydrophobicContact CB-CB 4.28Å; L315-F333 HydrophobicContact CB-CD2 4.26Å; L315-F333 HydrophobicContact CD2-CD2 4.11Å; L315-F333 HydrophobicContact CG-CD2 4.21Å; L315-F333 PolarHBondContact N-O 3.17Å; L315-F333 PolarHBondContact O-N 2.89Å; Q317-F333 HydrophobicContact CB-CE2 4.42Å; F333-E342 WeakPolarHBondContact CA-OE1 3.34Å
334	H	98.6	Very high	98.6	Very high	22 Å²	22	65.4 Å²	65.4	10%	0.102	34%	0.338	C	S	.	.			trans	-101.5	7.3	-173.4	68.2	59.1	0	0	0	113.7	C311 R313 G336 T337 K340 E342 L345	C311-H334 HydrophobicContact CB-CB 4.21Å; R313-H334 CarbonylContact O-C 3.51Å; R313-H334 VanDerWaalsContact O-C 3.27Å; R313-H334 WeakPolarHBondContact O-CA 3.32Å; R313-H334 VanDerWaalsContact O-O 3.04Å; H334-G336 WeakPolarHBondContact ND1-CA 3.14Å; H334-G336 PolarHBondContact ND1-N 2.98Å; H334-G336 PolarHBondContact O-N 3.29Å; H334-T337 PolarHBondContact ND1-N 3.48Å; H334-T337 WeakPolarHBondContact O-CB 3.44Å; H334-T337 PolarHBondContact O-N 3.47Å; H334-T337 PolarHBondContact O-OG1 2.83Å; H334-K340 PolarHBondContact NE2-O 2.83Å; H334-E342 WeakPolarHBondContact CD2-CG 3.1Å; H334-E342 PolarHBondContact N-OE1 3.4Å; H334-L345 HydrophobicContact CB-CD1 3.94Å
335	Y	98.5	Very high	98.7	Very high	79 Å²	79	62.4 Å²	62.4	31%	0.31	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	30.1	175.9	-59	-88.2	0	0	0	115	Y141 G193 R313 L315 T337	Y141-Y335 HydrophobicContact CE2-CE2 4.39Å; G193-Y335 WeakPolarHBondContact CA-O 3.31Å; R313-Y335 HydrophobicContact CB-CD2 4.26Å; R313-Y335 HydrophobicContact CG-CD2 3.83Å; R313-Y335 HydrophobicContact CG-CE2 4.15Å; R313-Y335 HydrophobicContact CG-CG 4.48Å; R313-Y335 VanDerWaalsContact NH2-CD1 3.33Å; L315-Y335 HydrophobicContact CB-CE2 3.84Å; Y335-T337 PolarHBondContact O-N 3.48Å
336	G	98.4	Very high	98.7	Very high	57 Å²	57	63.4 Å²	63.4	59%	0.588	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	5.5	-174.2	0	0	0	0	0	115.7	H334 S338	H334-G336 WeakPolarHBondContact ND1-CA 3.14Å; H334-G336 PolarHBondContact ND1-N 2.98Å; H334-G336 PolarHBondContact O-N 3.29Å; G336-S338 VanDerWaalsContact C-N 3.35Å; G336-S338 PolarHBondContact O-N 2.91Å
337	T	98.6	Very high	98.7	Very high	20 Å²	20	61.2 Å²	61.2	12%	0.123	32%	0.316	C	S	.	.			trans	-89.2	8.5	-175.6	69.6	0	0	0	0	115.5	A194 C311 K312 R313 H334 Y335	A194-T337 HydrophobicContact CB-CG2 4.22Å; C311-T337 WeakPolarHBondContact CA-O 3.21Å; K312-T337 HydrophobicContact CB-CG2 4.15Å; K312-T337 PolarHBondContact N-OG1 2.82Å; K312-T337 VanDerWaalsContact N-OG1 3.09Å; R313-T337 HydrophobicContact CB-CG2 4.15Å; R313-T337 PolarHBondContact N-OG1 3.17Å; R313-T337 PolarHBondContact O-OG1 2.88Å; R313-T337 VanDerWaalsContact O-OG1 3.1Å; H334-T337 PolarHBondContact ND1-N 3.48Å; H334-T337 WeakPolarHBondContact O-CB 3.44Å; H334-T337 PolarHBondContact O-N 3.47Å; H334-T337 PolarHBondContact O-OG1 2.83Å; Y335-T337 PolarHBondContact O-N 3.48Å
338	S	98.6	Very high	98.7	Very high	19 Å²	19	60.5 Å²	60.5	13%	0.133	31%	0.31	C	S	.	.			trans	-120.4	146.9	-179.5	169.9	0	0	0	0	109.8	L310 G336 K340	L310-S338 WeakPolarHBondContact O-CB 3.36Å; L310-S338 PolarHBondContact O-OG 3.09Å; L310-S338 VanDerWaalsContact O-OG 3.04Å; G336-S338 VanDerWaalsContact C-N 3.35Å; G336-S338 PolarHBondContact O-N 2.91Å; S338-K340 WeakPolarHBondContact CB-O 3.21Å; S338-K340 WeakPolarHBondContact OG-CA 3.47Å; S338-K340 PolarHBondContact OG-N 2.82Å; S338-K340 PolarHBondContact OG-O 2.95Å
339	Q	98.1	Very high	98.7	Very high	206 Å²	206	55 Å²	55	96%	0.963	28%	0.281	S	S	*	.	S	Bend	trans	-80	-26.1	166.6	-64.1	-175.6	4.7	0	0	112.3
340	K	98.6	Very high	98.7	Very high	62 Å²	62	58.5 Å²	58.5	27%	0.27	29%	0.291	S	S	.	.	S	Bend	trans	-81.9	143.3	173	-66.6	-177.6	-178.6	-67.2	0	110.1	L310 H334 S338 E344 L345 I348	L310-K340 HydrophobicContact CD2-CD 4.06Å; H334-K340 PolarHBondContact NE2-O 2.83Å; S338-K340 WeakPolarHBondContact CB-O 3.21Å; S338-K340 WeakPolarHBondContact OG-CA 3.47Å; S338-K340 PolarHBondContact OG-N 2.82Å; S338-K340 PolarHBondContact OG-O 2.95Å; K340-E344 HydrophobicContact CB-CB 4.13Å; K340-L345 HydrophobicContact CB-CD2 3.97Å; K340-L345 HydrophobicContact CB-CG 4.25Å; K340-L345 HydrophobicContact CD-CD2 4.14Å; K340-I348 HydrophobicContact CD-CD1 3.8Å
341	S	98.8	Very high	98.7	Very high	45 Å²	45	64.5 Å²	64.5	32%	0.315	32%	0.316	S	S	.	.			trans	-64.7	156.3	172.6	62.9	0	0	0	0	112.1	R343 E344 L345	S341-R343 PolarHBondContact O-N 2.84Å; S341-E344 WeakPolarHBondContact CB-OE2 3.3Å; S341-E344 PolarHBondContact N-OE2 2.94Å; S341-E344 PolarHBondContact O-N 2.94Å; S341-E344 WeakPolarHBondContact OG-CG 3.11Å; S341-E344 PolarHBondContact OG-N 3.33Å; S341-E344 PolarHBondContact OG-OE2 2.89Å; S341-L345 PolarHBondContact O-N 2.77Å
342	E	98.8	Very high	98.7	Very high	82 Å²	82	63.7 Å²	63.7	38%	0.383	31%	0.308	S	S	.	.	H	α-helix	trans	-53.9	-34.7	173.3	-66.8	173.5	158.9	0	0	112.3	I332 F333 H334 L345 L346	I332-E342 WeakPolarHBondContact O-CB 3.27Å; I332-E342 WeakPolarHBondContact O-CG 3.35Å; F333-E342 WeakPolarHBondContact CA-OE1 3.34Å; H334-E342 WeakPolarHBondContact CD2-CG 3.1Å; H334-E342 PolarHBondContact N-OE1 3.4Å; E342-L345 PolarHBondContact O-N 3.2Å; E342-L346 WeakPolarHBondContact O-CB 3.45Å; E342-L346 PolarHBondContact O-N 3.09Å
343	R	98.7	Very high	98.7	Very high	175 Å²	175	64 Å²	64	66%	0.66	31%	0.31	S	S	*	.	H	α-helix	trans	-64.2	-46.6	174.4	-175	178.5	68.9	94.8	-2	112.2	S341 L345 L346 D347	S341-R343 PolarHBondContact O-N 2.84Å; R343-L345 VanDerWaalsContact C-N 3.35Å; R343-L346 WeakPolarHBondContact O-CB 3.48Å; R343-L346 PolarHBondContact O-N 2.61Å; R343-D347 PolarHBondContact O-N 3.23Å
344	E	98.8	Very high	98.7	Very high	77 Å²	77	63 Å²	63	36%	0.36	31%	0.308	S	S	.	.	H	α-helix	trans	-64.9	-40.1	177.5	-72.4	165.6	103.4	0	0	111.5	K340 S341 L346 D347 I348	K340-E344 HydrophobicContact CB-CB 4.13Å; S341-E344 WeakPolarHBondContact CB-OE2 3.3Å; S341-E344 PolarHBondContact N-OE2 2.94Å; S341-E344 PolarHBondContact O-N 2.94Å; S341-E344 WeakPolarHBondContact OG-CG 3.11Å; S341-E344 PolarHBondContact OG-N 3.33Å; S341-E344 PolarHBondContact OG-OE2 2.89Å; E344-L346 VanDerWaalsContact C-N 3.34Å; E344-D347 PolarHBondContact O-N 2.71Å; E344-I348 WeakPolarHBondContact O-CG1 3.37Å; E344-I348 PolarHBondContact O-N 2.97Å
345	L	98.9	Very high	98.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-41.1	174.2	-64.4	-177.2	0	0	0	111.6	L310 I332 H334 K340 S341 E342 R343 D347 I348 V349	L310-L345 HydrophobicContact CB-CD2 4.01Å; L310-L345 HydrophobicContact CD1-CD2 4.3Å; I332-L345 HydrophobicContact CG2-CB 4.02Å; I332-L345 HydrophobicContact CG2-CD1 4.12Å; H334-L345 HydrophobicContact CB-CD1 3.94Å; K340-L345 HydrophobicContact CB-CD2 3.97Å; K340-L345 HydrophobicContact CB-CG 4.25Å; K340-L345 HydrophobicContact CD-CD2 4.14Å; S341-L345 PolarHBondContact O-N 2.77Å; E342-L345 PolarHBondContact O-N 3.2Å; R343-L345 VanDerWaalsContact C-N 3.35Å; L345-D347 VanDerWaalsContact C-N 3.32Å; L345-D347 PolarHBondContact O-N 3.26Å; L345-I348 HydrophobicContact CD2-CD1 4.38Å; L345-I348 WeakPolarHBondContact O-CB 3.45Å; L345-I348 PolarHBondContact O-N 3.17Å; L345-V349 WeakPolarHBondContact O-CG2 3.19Å; L345-V349 PolarHBondContact O-N 2.89Å
346	L	98.9	Very high	98.7	Very high	30 Å²	30	60.3 Å²	60.3	16%	0.157	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-41.1	174.9	178.6	61.7	0	0	0	111.9	I330 I332 E342 R343 E344 I348 V349 K350	I330-L346 HydrophobicContact CB-CD1 3.84Å; I330-L346 HydrophobicContact CG2-CD1 3.56Å; I332-L346 HydrophobicContact CG1-CB 4.07Å; I332-L346 HydrophobicContact CG1-CD1 4.17Å; E342-L346 WeakPolarHBondContact O-CB 3.45Å; E342-L346 PolarHBondContact O-N 3.09Å; R343-L346 WeakPolarHBondContact O-CB 3.48Å; R343-L346 PolarHBondContact O-N 2.61Å; E344-L346 VanDerWaalsContact C-N 3.34Å; L346-I348 VanDerWaalsContact C-N 3.33Å; L346-I348 PolarHBondContact O-N 2.81Å; L346-V349 PolarHBondContact O-N 2.98Å; L346-K350 HydrophobicContact CD1-CD 4.45Å; L346-K350 HydrophobicContact CD1-CG 4.35Å; L346-K350 HydrophobicContact CG-CD 4.3Å; L346-K350 WeakPolarHBondContact O-CG 3.35Å; L346-K350 PolarHBondContact O-N 2.63Å
347	D	98.8	Very high	98.7	Very high	63 Å²	63	57.6 Å²	57.6	34%	0.337	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-38.3	175.9	-70.8	-22.5	0	0	0	111.7	R343 E344 L345 K351	R343-D347 PolarHBondContact O-N 3.23Å; E344-D347 PolarHBondContact O-N 2.71Å; L345-D347 VanDerWaalsContact C-N 3.32Å; L345-D347 PolarHBondContact O-N 3.26Å; D347-K351 WeakPolarHBondContact O-CB 3.42Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.4Å; D347-K351 PolarHBondContact O-N 3.04Å; D347-K351 VanDerWaalsContact O-N 3.12Å
348	I	98.8	Very high	98.7	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-46.2	172.5	-65.5	170.1	0	0	0	110.2	L310 K340 E344 L345 L346 K351 N352 L393 Y395	L310-I348 HydrophobicContact CD1-CD1 4.14Å; L310-I348 HydrophobicContact CD1-CG2 4.35Å; K340-I348 HydrophobicContact CD-CD1 3.8Å; E344-I348 WeakPolarHBondContact O-CG1 3.37Å; E344-I348 PolarHBondContact O-N 2.97Å; L345-I348 HydrophobicContact CD2-CD1 4.38Å; L345-I348 WeakPolarHBondContact O-CB 3.45Å; L345-I348 PolarHBondContact O-N 3.17Å; L346-I348 VanDerWaalsContact C-N 3.33Å; L346-I348 PolarHBondContact O-N 2.81Å; I348-K351 PolarHBondContact O-N 2.89Å; I348-N352 PolarHBondContact O-N 2.86Å; I348-N352 PolarHBondContact O-ND2 2.81Å; I348-L393 HydrophobicContact CG2-CB 4.48Å; I348-L393 HydrophobicContact CG2-CD1 4.28Å; I348-Y395 HydrophobicContact CD1-CD2 4.42Å; I348-Y395 HydrophobicContact CD1-CG 3.94Å; I348-Y395 HydrophobicContact CG1-CG 4.45Å; I348-Y395 HydrophobicContact CG2-CD1 4.23Å; I348-Y395 HydrophobicContact CG2-CG 4.49Å
349	V	98.8	Very high	98.7	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-50.4	178.6	170.7	0	0	0	0	110.7	V301 L305 I332 L345 L346 K351 N352 F353	V301-V349 HydrophobicContact CG1-CB 4.41Å; V301-V349 HydrophobicContact CG1-CG1 3.85Å; V301-V349 HydrophobicContact CG1-CG2 3.6Å; V301-V349 HydrophobicContact CG2-CG1 4.42Å; L305-V349 HydrophobicContact CD1-CG2 4.03Å; L305-V349 HydrophobicContact CD2-CG2 4.21Å; L305-V349 HydrophobicContact CG-CG2 4.45Å; I332-V349 HydrophobicContact CD1-CG2 4.02Å; L345-V349 WeakPolarHBondContact O-CG2 3.19Å; L345-V349 PolarHBondContact O-N 2.89Å; L346-V349 PolarHBondContact O-N 2.98Å; V349-K351 PolarHBondContact O-N 2.84Å; V349-N352 PolarHBondContact O-N 2.89Å; V349-F353 HydrophobicContact CB-CD2 4.49Å; V349-F353 HydrophobicContact CG1-CD2 4.09Å; V349-F353 WeakPolarHBondContact O-CD2 3.37Å; V349-F353 PolarHBondContact O-N 3.24Å
350	K	98.5	Very high	98.8	Very high	122 Å²	122	46.4 Å²	46.4	53%	0.53	21%	0.213	S	C	.	.	H	α-helix	trans	-60.4	-30	179.5	-73.4	177.3	177.4	177.3	0	113.6	L346	L346-K350 HydrophobicContact CD1-CD 4.45Å; L346-K350 HydrophobicContact CD1-CG 4.35Å; L346-K350 HydrophobicContact CG-CD 4.3Å; L346-K350 WeakPolarHBondContact O-CG 3.35Å; L346-K350 PolarHBondContact O-N 2.63Å
351	K	98.6	Very high	98.8	Very high	163 Å²	163	43.7 Å²	43.7	71%	0.709	20%	0.202	S	C	*	.	H	α-helix	trans	-77	-25.4	176.1	-75	171.4	-177.2	174.8	0	113.7	D347 I348 V349	D347-K351 WeakPolarHBondContact O-CB 3.42Å; D347-K351 VanDerWaalsContact O-CG 3.27Å; D347-K351 WeakPolarHBondContact O-CG 3.4Å; D347-K351 PolarHBondContact O-N 3.04Å; D347-K351 VanDerWaalsContact O-N 3.12Å; I348-K351 PolarHBondContact O-N 2.89Å; V349-K351 PolarHBondContact O-N 2.84Å
352	N	98.8	Very high	98.8	Very high	18 Å²	18	47.5 Å²	47.5	10%	0.096	21%	0.21	C	C	.	.	H	α-helix	trans	-110.1	-19.9	-170	-73.3	-85.3	0	0	0	113.7	I348 V349 K391 L393 K394	I348-N352 PolarHBondContact O-N 2.86Å; I348-N352 PolarHBondContact O-ND2 2.81Å; V349-N352 PolarHBondContact O-N 2.89Å; N352-K391 VanDerWaalsContact O-CE 3.26Å; N352-K391 WeakPolarHBondContact O-CE 3.38Å; N352-K391 PolarHBondContact O-NZ 2.99Å; N352-L393 HydrophobicContact CB-CD2 3.96Å; N352-K394 PolarHBondContact ND2-O 3.4Å; N352-K394 PolarHBondContact OD1-N 3.08Å
353	F	98.8	Very high	98.7	Very high	15 Å²	15	47.4 Å²	47.4	7%	0.066	21%	0.209	C	C	.	.			trans	-127.9	128.7	-175.6	-60.2	-88.1	0	0	0	111.2	W300 V301 V349 L355 K391 L393	W300-F353 HydrophobicContact CD2-CD1 4.29Å; W300-F353 AromaticContact CD2-CE1 3.7Å; W300-F353 HydrophobicContact CD2-CE1 3.7Å; W300-F353 AromaticContact CE2-CE1 3.96Å; W300-F353 AromaticContact CE3-CD1 3.59Å; W300-F353 HydrophobicContact CE3-CD1 3.59Å; W300-F353 AromaticContact CE3-CE1 3.47Å; W300-F353 HydrophobicContact CE3-CE1 3.47Å; W300-F353 VanDerWaalsContact CE3-CE1 3.47Å; W300-F353 HydrophobicContact CH2-CD1 4.03Å; W300-F353 AromaticContact CH2-CE1 3.9Å; W300-F353 HydrophobicContact CH2-CE1 3.9Å; W300-F353 HydrophobicContact CZ2-CE1 4.08Å; W300-F353 AromaticContact CZ3-CD1 3.44Å; W300-F353 HydrophobicContact CZ3-CD1 3.44Å; W300-F353 VanDerWaalsContact CZ3-CD1 3.44Å; W300-F353 AromaticContact CZ3-CE1 3.59Å; W300-F353 HydrophobicContact CZ3-CE1 3.59Å; V301-F353 HydrophobicContact CG1-CE2 4.38Å; V301-F353 HydrophobicContact CG2-CB 4.29Å; V301-F353 HydrophobicContact CG2-CD1 3.7Å; V301-F353 HydrophobicContact CG2-CD2 3.88Å; V301-F353 HydrophobicContact CG2-CE1 3.9Å; V301-F353 HydrophobicContact CG2-CE2 4.05Å; V301-F353 HydrophobicContact CG2-CG 3.69Å; V301-F353 HydrophobicContact CG2-CZ 4.06Å; V349-F353 HydrophobicContact CB-CD2 4.49Å; V349-F353 HydrophobicContact CG1-CD2 4.09Å; V349-F353 WeakPolarHBondContact O-CD2 3.37Å; V349-F353 PolarHBondContact O-N 3.24Å; F353-L355 HydrophobicContact CB-CD2 3.97Å; F353-L355 HydrophobicContact CB-CG 4.31Å; F353-K391 HydrophobicContact CD1-CD 4.02Å; F353-K391 HydrophobicContact CE1-CB 3.86Å; F353-K391 HydrophobicContact CE1-CD 3.58Å; F353-K391 HydrophobicContact CE1-CG 4.35Å; F353-K391 HydrophobicContact CZ-CB 3.81Å; F353-K391 HydrophobicContact CZ-CD 3.95Å; F353-K391 HydrophobicContact CZ-CG 4.44Å; F353-L393 HydrophobicContact CE2-CD2 3.43Å; F353-L393 VanDerWaalsContact CE2-CD2 3.43Å; F353-L393 HydrophobicContact CZ-CD2 3.64Å
354	D	98.8	Very high	98.8	Very high	57 Å²	57	39.1 Å²	39.1	31%	0.305	18%	0.178	S	C	.	.			trans	-102	114.5	163.3	-174.6	-21.1	0	0	0	107.6	R356 V359	D354-R356 WeakPolarHBondContact OD1-CB 3.39Å; D354-R356 VanDerWaalsContact OD1-CG 3.32Å; D354-R356 WeakPolarHBondContact OD1-CG 3.42Å; D354-R356 PolarHBondContact OD1-N 3Å; D354-R356 IonicContact OD1-NE 2.7Å; D354-R356 PolarHBondContact OD1-NE 2.88Å; D354-R356 IonicContact OD2-CZ 2.8Å; D354-R356 VanDerWaalsContact OD2-CZ 3.29Å; D354-R356 IonicContact OD2-NE 3.25Å; D354-R356 PolarHBondContact OD2-NE 3.36Å; D354-R356 IonicContact OD2-NH2 3.8Å; D354-R356 PolarHBondContact OD2-NH2 2.84Å; D354-V359 HydrophobicContact CB-CB 4.23Å; D354-V359 HydrophobicContact CB-CG1 3.82Å; D354-V359 HydrophobicContact CB-CG2 4.42Å
355	L	98.8	Very high	98.7	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.042	18%	0.178	C	C	.	.			trans	-98.2	19.1	-173.8	-57.2	-179.2	0	0	0	112.1	A297 V301 V318 Y320 P327 I330 F353 I360	A297-L355 HydrophobicContact CB-CD2 4.03Å; V301-L355 HydrophobicContact CG2-CD2 4.26Å; V318-L355 HydrophobicContact CG1-CD1 3.8Å; Y320-L355 WeakPolarHBondContact CE1-O 3.42Å; Y320-L355 PolarHBondContact OH-O 3.45Å; P327-L355 HydrophobicContact CG-CB 3.79Å; I330-L355 HydrophobicContact CD1-CD1 3.95Å; I330-L355 HydrophobicContact CG1-CD1 4.45Å; F353-L355 HydrophobicContact CB-CD2 3.97Å; F353-L355 HydrophobicContact CB-CG 4.31Å; L355-I360 HydrophobicContact CB-CD1 4.41Å; L355-I360 WeakPolarHBondContact O-CD1 3.41Å
356	R	98.9	Very high	98.7	Very high	36 Å²	36	38.7 Å²	38.7	14%	0.136	18%	0.178	C	C	.	.			trans	-64.6	136.1	166	-70.7	-179.5	-72	162.2	4	109.8	D129 A325 H326 D354 G358 V359 I360	D129-R356 IonicContact OD1-CZ 3.14Å; D129-R356 IonicContact OD1-NH1 3.29Å; D129-R356 PolarHBondContact OD1-NH1 3.09Å; A325-R356 HydrophobicContact CB-CG 4.07Å; A325-R356 WeakPolarHBondContact O-CA 3.42Å; H326-R356 VanDerWaalsContact CE1-CD 3.47Å; H326-R356 WeakPolarHBondContact CE1-CD 3.29Å; D354-R356 WeakPolarHBondContact OD1-CB 3.39Å; D354-R356 VanDerWaalsContact OD1-CG 3.32Å; D354-R356 WeakPolarHBondContact OD1-CG 3.42Å; D354-R356 PolarHBondContact OD1-N 3Å; D354-R356 IonicContact OD1-NE 2.7Å; D354-R356 PolarHBondContact OD1-NE 2.88Å; D354-R356 IonicContact OD2-CZ 2.8Å; D354-R356 VanDerWaalsContact OD2-CZ 3.29Å; D354-R356 IonicContact OD2-NE 3.25Å; D354-R356 PolarHBondContact OD2-NE 3.36Å; D354-R356 IonicContact OD2-NH2 3.8Å; D354-R356 PolarHBondContact OD2-NH2 2.84Å; R356-G358 PolarHBondContact O-N 3.34Å; R356-G358 VanDerWaalsContact O-N 3.13Å; R356-V359 HydrophobicContact CB-CB 4.49Å; R356-V359 HydrophobicContact CB-CG2 4.25Å; R356-V359 PolarHBondContact O-N 3.49Å; R356-I360 WeakPolarHBondContact O-CG1 3.47Å; R356-I360 PolarHBondContact O-N 2.88Å
357	P	98.7	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-54.8	-35.9	-179.1	-25.7	33.5	0	0	0	113.3	V130 V290 Y320 A325 V359 I360 V361	V130-P357 HydrophobicContact CG1-CB 4.15Å; V290-P357 HydrophobicContact CG1-CB 4.42Å; V290-P357 HydrophobicContact CG1-CG 3.63Å; Y320-P357 HydrophobicContact CE1-CG 4.43Å; A325-P357 WeakPolarHBondContact O-CD 3.31Å; P357-V359 VanDerWaalsContact C-N 3.29Å; P357-V359 PolarHBondContact O-N 3.02Å; P357-I360 PolarHBondContact O-N 2.88Å; P357-V361 WeakPolarHBondContact O-CG1 3.32Å; P357-V361 PolarHBondContact O-N 3.03Å
358	G	98.6	Very high	98.7	Very high	1 Å²	1	41 Å²	41	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-21.9	175.1	0	0	0	0	0	115.7	E127 R356 V361	E127-G358 WeakPolarHBondContact O-CA 3.49Å; R356-G358 PolarHBondContact O-N 3.34Å; R356-G358 VanDerWaalsContact O-N 3.13Å; G358-V361 VanDerWaalsContact O-CG1 3.23Å; G358-V361 WeakPolarHBondContact O-CG1 3.32Å
359	V	98.8	Very high	98.7	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-93.3	-39.3	172.8	178.2	0	0	0	0	110.6	D354 R356 P357 V361 R362 E363	D354-V359 HydrophobicContact CB-CB 4.23Å; D354-V359 HydrophobicContact CB-CG1 3.82Å; D354-V359 HydrophobicContact CB-CG2 4.42Å; R356-V359 HydrophobicContact CB-CB 4.49Å; R356-V359 HydrophobicContact CB-CG2 4.25Å; R356-V359 PolarHBondContact O-N 3.49Å; P357-V359 VanDerWaalsContact C-N 3.29Å; P357-V359 PolarHBondContact O-N 3.02Å; V359-V361 VanDerWaalsContact C-N 3.29Å; V359-V361 PolarHBondContact O-N 3.44Å; V359-R362 PolarHBondContact O-N 3.17Å; V359-R362 VanDerWaalsContact O-N 3.12Å; V359-E363 HydrophobicContact CG1-CG 4.03Å; V359-E363 WeakPolarHBondContact O-CG 3.47Å; V359-E363 PolarHBondContact O-N 3.26Å
360	I	98.9	Very high	98.7	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-55.2	-45.7	175.5	-66.4	171.4	0	0	0	110.8	A297 L355 R356 P357 R362 E363 L364 L366	A297-I360 HydrophobicContact CB-CD1 3.69Å; A297-I360 HydrophobicContact CB-CG1 3.92Å; A297-I360 HydrophobicContact CB-CG2 3.99Å; L355-I360 HydrophobicContact CB-CD1 4.41Å; L355-I360 WeakPolarHBondContact O-CD1 3.41Å; R356-I360 WeakPolarHBondContact O-CG1 3.47Å; R356-I360 PolarHBondContact O-N 2.88Å; P357-I360 PolarHBondContact O-N 2.88Å; I360-R362 PolarHBondContact O-N 3.38Å; I360-E363 PolarHBondContact O-N 3.33Å; I360-L364 HydrophobicContact CG2-CD1 3.98Å; I360-L364 HydrophobicContact CG2-CG 4.41Å; I360-L364 WeakPolarHBondContact O-CB 3.34Å; I360-L364 PolarHBondContact O-N 3.37Å; I360-L366 HydrophobicContact CG2-CD1 3.77Å
361	V	98.8	Very high	98.7	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.03	18%	0.179	C	C	.	.	H	α-helix	trans	-57.8	-36.5	179.9	62.2	0	0	0	0	113	Y287 P357 G358 V359 D365 L366 K367	Y287-V361 HydrophobicContact CD1-CB 4.33Å; Y287-V361 HydrophobicContact CD1-CG2 3.67Å; Y287-V361 HydrophobicContact CD2-CB 3.38Å; Y287-V361 HydrophobicContact CD2-CG1 3.88Å; Y287-V361 HydrophobicContact CD2-CG2 3.68Å; Y287-V361 HydrophobicContact CE1-CG2 3.97Å; Y287-V361 HydrophobicContact CE2-CB 3.67Å; Y287-V361 HydrophobicContact CE2-CG1 3.61Å; Y287-V361 HydrophobicContact CE2-CG2 3.95Å; Y287-V361 HydrophobicContact CG-CB 3.72Å; Y287-V361 HydrophobicContact CG-CG2 3.5Å; P357-V361 WeakPolarHBondContact O-CG1 3.32Å; P357-V361 PolarHBondContact O-N 3.03Å; G358-V361 VanDerWaalsContact O-CG1 3.23Å; G358-V361 WeakPolarHBondContact O-CG1 3.32Å; V359-V361 VanDerWaalsContact C-N 3.29Å; V359-V361 PolarHBondContact O-N 3.44Å; V361-D365 CarbonylContact O-C 3.59Å; V361-D365 WeakPolarHBondContact O-CA 3.21Å; V361-D365 PolarHBondContact O-N 3.19Å; V361-L366 HydrophobicContact CB-CB 4.4Å; V361-L366 HydrophobicContact CG2-CB 4.05Å; V361-L366 PolarHBondContact O-N 3.01Å; V361-K367 HydrophobicContact CG2-CD 4.27Å; V361-K367 HydrophobicContact CG2-CG 3.62Å
362	R	98.6	Very high	98.7	Very high	125 Å²	125	33.5 Å²	33.5	47%	0.472	16%	0.158	S	C	.	.	H	α-helix	trans	-74.5	-48.6	177.4	178.2	-177.3	61.5	-130.2	6.3	111.5	E128 V359 I360 L364	E128-R362 IonicContact OE1-CZ 3.71Å; E128-R362 IonicContact OE1-NH1 2.7Å; E128-R362 PolarHBondContact OE1-NH1 2.81Å; E128-R362 IonicContact OE1-NH2 3.91Å; V359-R362 PolarHBondContact O-N 3.17Å; V359-R362 VanDerWaalsContact O-N 3.12Å; I360-R362 PolarHBondContact O-N 3.38Å; R362-L364 VanDerWaalsContact C-N 3.29Å; R362-L364 PolarHBondContact O-N 3.46Å
363	E	98.6	Very high	98.7	Very high	81 Å²	81	38.8 Å²	38.8	38%	0.379	18%	0.177	S	C	.	.	H	α-helix	trans	-66.3	-33.3	-176.5	-64.2	-79.9	129.6	0	0	112	W300 V359 I360 K391	W300-E363 HydrophobicContact CH2-CB 4.02Å; W300-E363 HydrophobicContact CH2-CG 4.4Å; W300-E363 WeakPolarHBondContact CH2-OE2 3.39Å; W300-E363 HydrophobicContact CZ3-CB 4.14Å; V359-E363 HydrophobicContact CG1-CG 4.03Å; V359-E363 WeakPolarHBondContact O-CG 3.47Å; V359-E363 PolarHBondContact O-N 3.26Å; I360-E363 PolarHBondContact O-N 3.33Å; E363-K391 IonicContact OE2-NZ 2.74Å; E363-K391 PolarHBondContact OE2-NZ 3.14Å; E363-K391 VanDerWaalsContact OE2-NZ 3.14Å
364	L	98.8	Very high	98.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	5.9	-177.6	-59.6	-172.8	0	0	0	114	A297 W300 I360 R362 L366 P386 W387	A297-L364 HydrophobicContact CB-CD1 4.35Å; W300-L364 HydrophobicContact CD2-CD2 3.95Å; W300-L364 HydrophobicContact CE3-CD2 4.07Å; W300-L364 HydrophobicContact CG-CD2 4.2Å; W300-L364 HydrophobicContact CZ3-CD2 4.47Å; I360-L364 HydrophobicContact CG2-CD1 3.98Å; I360-L364 HydrophobicContact CG2-CG 4.41Å; I360-L364 WeakPolarHBondContact O-CB 3.34Å; I360-L364 PolarHBondContact O-N 3.37Å; R362-L364 VanDerWaalsContact C-N 3.29Å; R362-L364 PolarHBondContact O-N 3.46Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 HydrophobicContact CB-CD1 4.21Å; L364-L366 HydrophobicContact CB-CD2 3.83Å; L364-L366 HydrophobicContact CB-CG 3.76Å; L364-L366 WeakPolarHBondContact O-CD2 3.44Å; L364-L366 PolarHBondContact O-N 3.47Å; L364-P386 HydrophobicContact CB-CB 4.35Å; L364-P386 HydrophobicContact CD2-CB 4.11Å; L364-P386 WeakPolarHBondContact O-CG 3.46Å; L364-W387 HydrophobicContact CD1-CB 4.03Å; L364-W387 HydrophobicContact CD2-CB 4.21Å
365	D	98.4	Very high	98.7	Very high	65 Å²	65	35.4 Å²	35.4	35%	0.348	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	43.6	175.2	-152.2	-5.8	0	0	0	113.9	V361 K367 K368	V361-D365 CarbonylContact O-C 3.59Å; V361-D365 WeakPolarHBondContact O-CA 3.21Å; V361-D365 PolarHBondContact O-N 3.19Å; D365-K367 PolarHBondContact O-N 3.45Å; D365-K368 HydrophobicContact CB-CD 4.34Å; D365-K368 VanDerWaalsContact CG-CD 3.49Å; D365-K368 WeakPolarHBondContact O-CB 3.13Å; D365-K368 PolarHBondContact O-N 3.25Å; D365-K368 VanDerWaalsContact O-N 3.13Å; D365-K368 WeakPolarHBondContact OD2-CD 3.4Å; D365-K368 WeakPolarHBondContact OD2-CE 3.46Å; D365-K368 IonicContact OD2-NZ 2.6Å; D365-K368 PolarHBondContact OD2-NZ 2.63Å
366	L	98.8	Very high	98.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	22.8	-170	-56.3	-178.3	0	0	0	114.1	Y296 I360 V361 L364 Y371 W387	Y296-L366 HydrophobicContact CD2-CD2 4Å; Y296-L366 HydrophobicContact CE2-CD2 4.45Å; I360-L366 HydrophobicContact CG2-CD1 3.77Å; V361-L366 HydrophobicContact CB-CB 4.4Å; V361-L366 HydrophobicContact CG2-CB 4.05Å; V361-L366 PolarHBondContact O-N 3.01Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 HydrophobicContact CB-CD1 4.21Å; L364-L366 HydrophobicContact CB-CD2 3.83Å; L364-L366 HydrophobicContact CB-CG 3.76Å; L364-L366 WeakPolarHBondContact O-CD2 3.44Å; L364-L366 PolarHBondContact O-N 3.47Å; L366-Y371 WeakPolarHBondContact CA-OH 3.37Å; L366-Y371 VanDerWaalsContact CB-OH 3.29Å; L366-Y371 WeakPolarHBondContact CB-OH 3.44Å; L366-Y371 PolarHBondContact O-OH 2.86Å; L366-W387 HydrophobicContact CD2-CE3 4.23Å; L366-W387 HydrophobicContact CD2-CZ3 3.94Å
367	K	98.8	Very high	98.7	Very high	37 Å²	37	35.5 Å²	35.5	16%	0.161	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-5	163.4	-60.6	-176.6	-178.7	-174.2	0	111.5	P50 D51 E127 Y287 V361 D365	P50-K367 HydrophobicContact CB-CB 4.11Å; P50-K367 HydrophobicContact CB-CD 4.15Å; P50-K367 WeakPolarHBondContact O-CD 3.45Å; P50-K367 WeakPolarHBondContact O-CG 3.37Å; D51-K367 IonicContact OD1-NZ 2.8Å; D51-K367 PolarHBondContact OD1-NZ 3.39Å; E127-K367 VanDerWaalsContact CD-NZ 3.28Å; E127-K367 IonicContact OE1-NZ 2.72Å; E127-K367 PolarHBondContact OE1-NZ 2.8Å; E127-K367 IonicContact OE2-NZ 3.94Å; E127-K367 PolarHBondContact OE2-NZ 3.49Å; Y287-K367 HydrophobicContact CD1-CG 4.26Å; Y287-K367 HydrophobicContact CE1-CG 4.35Å; V361-K367 HydrophobicContact CG2-CD 4.27Å; V361-K367 HydrophobicContact CG2-CG 3.62Å; D365-K367 PolarHBondContact O-N 3.45Å
368	K	98.6	Very high	98.7	Very high	105 Å²	105	35.5 Å²	35.5	46%	0.457	16%	0.161	S	C	.	.	S	Bend	trans	-71	136.5	177.4	-80.4	-173.1	170.8	160.9	0	111.4	D365 I370 Y371	D365-K368 HydrophobicContact CB-CD 4.34Å; D365-K368 VanDerWaalsContact CG-CD 3.49Å; D365-K368 WeakPolarHBondContact O-CB 3.13Å; D365-K368 PolarHBondContact O-N 3.25Å; D365-K368 VanDerWaalsContact O-N 3.13Å; D365-K368 WeakPolarHBondContact OD2-CD 3.4Å; D365-K368 WeakPolarHBondContact OD2-CE 3.46Å; D365-K368 IonicContact OD2-NZ 2.6Å; D365-K368 PolarHBondContact OD2-NZ 2.63Å; K368-I370 VanDerWaalsContact C-N 3.26Å; K368-I370 HydrophobicContact CB-CG1 4.31Å; K368-I370 HydrophobicContact CB-CG2 4.19Å; K368-I370 PolarHBondContact O-N 2.96Å; K368-Y371 WeakPolarHBondContact O-CE2 3.41Å
369	P	98.6	Very high	98.7	Very high	49 Å²	49	35.5 Å²	35.5	32%	0.318	16%	0.16	S	C	.	.	S	Bend	trans	-78.8	74.1	178.2	33	-36.2	0	0	0	111	D43 L46 K47	D43-P369 HydrophobicContact CB-CB 3.95Å; D43-P369 VanDerWaalsContact CG-C 3.48Å; D43-P369 WeakPolarHBondContact O-CB 3.46Å; D43-P369 WeakPolarHBondContact OD1-CA 3.32Å; L46-P369 HydrophobicContact CB-CB 4.19Å; K47-P369 HydrophobicContact CD-CB 4.45Å; K47-P369 HydrophobicContact CG-CB 3.69Å; K47-P369 HydrophobicContact CG-CG 3.61Å
370	I	98.5	Very high	98.7	Very high	32 Å²	32	35.5 Å²	35.5	16%	0.164	16%	0.16	C	C	.	.			trans	-121.7	3.5	-178.3	57.8	164.8	0	0	0	113.1	D43 K368 R373 F385	D43-I370 PolarHBondContact OD1-N 3.47Å; D43-I370 VanDerWaalsContact OD1-N 3.07Å; K368-I370 VanDerWaalsContact C-N 3.26Å; K368-I370 HydrophobicContact CB-CG1 4.31Å; K368-I370 HydrophobicContact CB-CG2 4.19Å; K368-I370 PolarHBondContact O-N 2.96Å; I370-R373 WeakPolarHBondContact O-CB 3.48Å; I370-R373 PolarHBondContact O-N 3.48Å; I370-F385 HydrophobicContact CD1-CD1 4.2Å
371	Y	98.9	Very high	98.6	Very high	1 Å²	1	36 Å²	36	0%	0.004	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-71.6	-34.7	-165.7	-66.9	-77	0	0	0	113	L42 D43 L46 Y296 L366 K368 R373 T374 A375	L42-Y371 HydrophobicContact CD2-CD1 4.1Å; L42-Y371 HydrophobicContact CD2-CD2 3.46Å; L42-Y371 VanDerWaalsContact CD2-CD2 3.46Å; L42-Y371 HydrophobicContact CD2-CE2 4.01Å; L42-Y371 HydrophobicContact CD2-CG 3.52Å; L42-Y371 HydrophobicContact CG-CD2 3.88Å; L42-Y371 HydrophobicContact CG-CE2 4.45Å; L42-Y371 HydrophobicContact CG-CG 4.34Å; D43-Y371 WeakPolarHBondContact OD1-CB 3.36Å; D43-Y371 VanDerWaalsContact OD1-CD2 3.3Å; D43-Y371 WeakPolarHBondContact OD1-CD2 3.3Å; D43-Y371 PolarHBondContact OD1-N 3.13Å; D43-Y371 PolarHBondContact OD2-N 3.04Å; D43-Y371 VanDerWaalsContact OD2-N 3.15Å; L46-Y371 HydrophobicContact CD1-CD2 3.71Å; L46-Y371 HydrophobicContact CD1-CE2 3.33Å; Y296-Y371 HydrophobicContact CE2-CE1 4.36Å; L366-Y371 WeakPolarHBondContact CA-OH 3.37Å; L366-Y371 VanDerWaalsContact CB-OH 3.29Å; L366-Y371 WeakPolarHBondContact CB-OH 3.44Å; L366-Y371 PolarHBondContact O-OH 2.86Å; K368-Y371 WeakPolarHBondContact O-CE2 3.41Å; Y371-R373 PolarHBondContact O-N 2.79Å; Y371-R373 VanDerWaalsContact O-N 3.08Å; Y371-T374 WeakPolarHBondContact O-CA 3.42Å; Y371-T374 WeakPolarHBondContact O-CB 3.47Å; Y371-T374 PolarHBondContact O-N 2.58Å; Y371-T374 PolarHBondContact O-OG1 2.97Å; Y371-A375 PolarHBondContact O-N 3.22Å
372	Q	98.8	Very high	98.5	Very high	56 Å²	56	39 Å²	39	26%	0.262	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-58.1	-31.2	178.5	-172.2	-179	27.6	0	0	111.7	D39 A40 D43 T86 T374 A375	D39-Q372 HydrophobicContact CB-CB 4.49Å; A40-Q372 HydrophobicContact CB-CG 4.26Å; D43-Q372 WeakPolarHBondContact OD2-CB 3.49Å; D43-Q372 PolarHBondContact OD2-N 3.03Å; T86-Q372 PolarHBondContact OG1-NE2 3.1Å; Q372-T374 PolarHBondContact O-N 2.88Å; Q372-A375 PolarHBondContact O-N 2.85Å
373	R	98.4	Very high	97.8	Very high	130 Å²	130	40.6 Å²	40.6	49%	0.491	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-69.4	-19.2	176.7	-62.3	172	63.2	-144.8	1.2	113.3	I370 Y371 R382 A384 F385	I370-R373 WeakPolarHBondContact O-CB 3.48Å; I370-R373 PolarHBondContact O-N 3.48Å; Y371-R373 PolarHBondContact O-N 2.79Å; Y371-R373 VanDerWaalsContact O-N 3.08Å; R373-R382 PolarHBondContact O-NH1 2.99Å; R373-R382 PolarHBondContact O-NH2 3.1Å; R373-A384 VanDerWaalsContact NH2-CB 3.35Å; R373-F385 HydrophobicContact CB-CE1 4.33Å; R373-F385 HydrophobicContact CB-CZ 4.19Å
374	T	98.8	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-27.6	179.3	73.5	0	0	0	0	112.1	Y371 Q372 A376 H379 F385 W387	Y371-T374 WeakPolarHBondContact O-CA 3.42Å; Y371-T374 WeakPolarHBondContact O-CB 3.47Å; Y371-T374 PolarHBondContact O-N 2.58Å; Y371-T374 PolarHBondContact O-OG1 2.97Å; Q372-T374 PolarHBondContact O-N 2.88Å; T374-A376 PolarHBondContact O-N 2.99Å; T374-H379 WeakPolarHBondContact CB-ND1 2.94Å; T374-H379 PolarHBondContact O-CD2 2.81Å; T374-H379 PolarHBondContact O-NE2 3.19Å; T374-H379 PolarHBondContact OG1-CE1 2.98Å; T374-H379 PolarHBondContact OG1-ND1 3.16Å; T374-F385 HydrophobicContact CG2-CD1 4.23Å; T374-F385 HydrophobicContact CG2-CE1 3.6Å; T374-F385 HydrophobicContact CG2-CE2 4.28Å; T374-F385 HydrophobicContact CG2-CZ 3.62Å; T374-W387 HydrophobicContact CG2-CH2 3.87Å; T374-W387 HydrophobicContact CG2-CZ2 3.95Å
375	A	98.7	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-70.5	-3.9	-168.8	0	0	0	0	0	115.8	K32 D35 Q36 D39 Y371 Q372	K32-A375 VanDerWaalsContact CD-O 3.32Å; K32-A375 WeakPolarHBondContact CD-O 3.43Å; K32-A375 VanDerWaalsContact CE-O 3.31Å; K32-A375 WeakPolarHBondContact CE-O 3.47Å; K32-A375 PolarHBondContact NZ-O 2.9Å; D35-A375 HydrophobicContact CB-CB 4.19Å; Q36-A375 HydrophobicContact CB-CB 4.29Å; Q36-A375 HydrophobicContact CG-CB 3.75Å; D39-A375 HydrophobicContact CB-CB 4.28Å; Y371-A375 PolarHBondContact O-N 3.22Å; Q372-A375 PolarHBondContact O-N 2.85Å
376	A	98.5	Very high	97.3	Very high	7 Å²	7	38.2 Å²	38.2	6%	0.058	19%	0.189	C	C	.	.	S	Bend	trans	-138.5	150.8	171.5	0	0	0	0	0	110.4	E27 Q36 T374 G378 R382	E27-A376 HydrophobicContact CG-CB 4.07Å; Q36-A376 HydrophobicContact CG-CB 4.41Å; T374-A376 PolarHBondContact O-N 2.99Å; A376-G378 VanDerWaalsContact C-N 3.33Å; A376-G378 PolarHBondContact O-N 2.89Å; A376-R382 PolarHBondContact O-NH1 2.99Å
377	Y	98.6	Very high	97.3	Very high	40 Å²	40	38.1 Å²	38.1	16%	0.157	19%	0.189	C	C	.	.	S	Bend	trans	64.8	30.4	-180	-45.1	-63.6	0	0	0	115.2	E27 H158 N161 A162 A165	E27-Y377 HydrophobicContact CG-CE2 3.73Å; E27-Y377 WeakPolarHBondContact CG-OH 3.45Å; E27-Y377 PolarHBondContact OE1-OH 3.03Å; H158-Y377 PolarHBondContact CD2-O 3.06Å; N161-Y377 HydrophobicContact CB-CD1 4.35Å; N161-Y377 HydrophobicContact CB-CE1 3.84Å; A162-Y377 HydrophobicContact CB-CD1 4.18Å; A162-Y377 HydrophobicContact CB-CE1 3.94Å; A165-Y377 VanDerWaalsContact CB-OH 3.29Å; A165-Y377 WeakPolarHBondContact CB-OH 3.37Å
378	G	98.4	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.			trans	80.2	145	177	0	0	0	0	0	113.3	A376 F380	A376-G378 VanDerWaalsContact C-N 3.33Å; A376-G378 PolarHBondContact O-N 2.89Å; G378-F380 VanDerWaalsContact C-N 3.32Å
379	H	98.9	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-80.5	-18.3	176.7	-71	-113.8	0	0	0	112.1	D269 F282 Y296 T374 W387	D269-H379 PolarHBondContact O-N 3.16Å; D269-H379 IonicContact OD1-CD2 3.58Å; D269-H379 PolarHBondContact OD1-CD2 3.49Å; D269-H379 IonicContact OD1-NE2 3.66Å; D269-H379 PolarHBondContact OD1-NE2 3.4Å; F282-H379 HydrophobicContact CD2-CB 4.38Å; F282-H379 AromaticContact CD2-CD2 3.7Å; F282-H379 AromaticContact CD2-CE1 3.71Å; F282-H379 AromaticContact CD2-CG 3.65Å; F282-H379 AromaticContact CD2-ND1 3.63Å; F282-H379 AromaticContact CD2-NE2 3.73Å; F282-H379 HydrophobicContact CE2-CB 4.42Å; Y296-H379 HydrophobicContact CE1-CB 4.06Å; Y296-H379 AromaticContact CE1-ND1 3.63Å; Y296-H379 AromaticContact CZ-ND1 3.57Å; Y296-H379 PolarHBondContact OH-CE1 3.42Å; Y296-H379 PolarHBondContact OH-ND1 2.92Å; T374-H379 WeakPolarHBondContact CB-ND1 2.94Å; T374-H379 PolarHBondContact O-CD2 2.81Å; T374-H379 PolarHBondContact O-NE2 3.19Å; T374-H379 PolarHBondContact OG1-CE1 2.98Å; T374-H379 PolarHBondContact OG1-ND1 3.16Å; H379-W387 PolarHBondContact O-NE1 2.99Å
380	F	98.9	Very high	97.3	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.022	19%	0.189	C	C	.	.	S	Bend	trans	-119.9	160.8	-170.9	-53	-40.2	0	0	0	112.5	M150 T270 Y271 F282 Y296 R299 G378 R382 W387 E388	M150-F380 HydrophobicContact CE-CB 4.04Å; M150-F380 HydrophobicContact SD-CB 3.84Å; T270-F380 HydrophobicContact CG2-CE2 3.83Å; Y271-F380 HydrophobicContact CD1-CD2 4.13Å; Y271-F380 AromaticContact CE1-CD2 3.38Å; Y271-F380 HydrophobicContact CE1-CD2 3.38Å; Y271-F380 AromaticContact CE1-CE2 3.83Å; Y271-F380 HydrophobicContact CE1-CE2 3.83Å; Y271-F380 HydrophobicContact CE1-CG 4.28Å; Y271-F380 HydrophobicContact CE2-CE2 4.21Å; Y271-F380 AromaticContact CZ-CD2 3.61Å; Y271-F380 AromaticContact CZ-CE2 3.51Å; Y271-F380 VanDerWaalsContact OH-CE2 3.25Å; Y271-F380 WeakPolarHBondContact OH-CE2 3.15Å; F282-F380 HydrophobicContact CE2-CZ 4.44Å; F282-F380 HydrophobicContact CZ-CZ 4.43Å; Y296-F380 AromaticContact CD1-CE1 3.58Å; Y296-F380 HydrophobicContact CD1-CE1 3.58Å; Y296-F380 AromaticContact CD1-CZ 3.98Å; Y296-F380 HydrophobicContact CD1-CZ 3.98Å; Y296-F380 HydrophobicContact CE1-CE1 4.06Å; Y296-F380 HydrophobicContact CE1-CZ 4.44Å; Y296-F380 HydrophobicContact CG-CE1 4.44Å; R299-F380 HydrophobicContact CB-CD1 3.96Å; R299-F380 HydrophobicContact CB-CE1 3.73Å; R299-F380 HydrophobicContact CB-CE2 4.4Å; R299-F380 HydrophobicContact CB-CG 4.4Å; R299-F380 HydrophobicContact CB-CZ 3.97Å; R299-F380 HydrophobicContact CG-CB 4.34Å; R299-F380 HydrophobicContact CG-CD1 3.54Å; R299-F380 HydrophobicContact CG-CD2 4.43Å; R299-F380 HydrophobicContact CG-CE1 3.87Å; R299-F380 HydrophobicContact CG-CG 3.85Å; R299-F380 HydrophobicContact CG-CZ 4.43Å; G378-F380 VanDerWaalsContact C-N 3.32Å; F380-R382 VanDerWaalsContact C-N 3.34Å; F380-W387 AromaticContact CD1-CD1 3.7Å; F380-W387 AromaticContact CD1-NE1 3.57Å; F380-W387 AromaticContact CE1-NE1 3.95Å; F380-E388 VanDerWaalsContact CA-OE1 3.26Å; F380-E388 WeakPolarHBondContact CA-OE1 3.38Å; F380-E388 WeakPolarHBondContact CB-OE1 3.5Å
381	G	97.8	Very high	97.3	Very high	15 Å²	15	37.6 Å²	37.6	16%	0.155	19%	0.194	C	C	.	.	S	Bend	trans	77.7	13.4	178.9	0	0	0	0	0	115.4	E148 E388	E148-G381 WeakPolarHBondContact CB-O 3.18Å; G381-E388 PolarHBondContact N-OE1 3.38Å; G381-E388 PolarHBondContact N-OE2 2.96Å
382	R	95.9	Very high	97.3	Very high	68 Å²	68	47 Å²	47	26%	0.257	23%	0.234	S	C	.	.			trans	-119.5	119.5	-179.8	-69.3	170	46.8	-173.7	-10.2	110.2	R373 A376 F380 A384 F385 E388	R373-R382 PolarHBondContact O-NH1 2.99Å; R373-R382 PolarHBondContact O-NH2 3.1Å; A376-R382 PolarHBondContact O-NH1 2.99Å; F380-R382 VanDerWaalsContact C-N 3.34Å; R382-A384 PolarHBondContact O-N 3.08Å; R382-F385 HydrophobicContact CB-CD2 4.09Å; R382-F385 HydrophobicContact CB-CE2 4.01Å; R382-E388 WeakPolarHBondContact O-CG 3.21Å
383	E	84.9	Confident	97.3	Very high	159 Å²	159	45.1 Å²	45.1	74%	0.743	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-16.8	-171.4	-61.2	-174.7	154.4	0	0	115.6	F385	E383-F385 PolarHBondContact O-N 3.25Å; E383-F385 VanDerWaalsContact O-N 3.08Å
384	A	89	Confident	97.2	Very high	54 Å²	54	47.1 Å²	47.1	45%	0.446	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	0.4	-174.5	0	0	0	0	0	115.5	R373 R382	R373-A384 VanDerWaalsContact NH2-CB 3.35Å; R382-A384 PolarHBondContact O-N 3.08Å
385	F	98.1	Very high	97	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	27%	0.268	C	S	.	.	S	Bend	trans	-123.6	142.3	-169.3	-57.6	-59.2	0	0	0	113.6	I370 R373 T374 R382 E383 W387 E388	I370-F385 HydrophobicContact CD1-CD1 4.2Å; R373-F385 HydrophobicContact CB-CE1 4.33Å; R373-F385 HydrophobicContact CB-CZ 4.19Å; T374-F385 HydrophobicContact CG2-CD1 4.23Å; T374-F385 HydrophobicContact CG2-CE1 3.6Å; T374-F385 HydrophobicContact CG2-CE2 4.28Å; T374-F385 HydrophobicContact CG2-CZ 3.62Å; R382-F385 HydrophobicContact CB-CD2 4.09Å; R382-F385 HydrophobicContact CB-CE2 4.01Å; E383-F385 PolarHBondContact O-N 3.25Å; E383-F385 VanDerWaalsContact O-N 3.08Å; F385-W387 VanDerWaalsContact C-N 3.32Å; F385-W387 HydrophobicContact CB-CD2 3.83Å; F385-W387 VanDerWaalsContact CB-CE2 3.44Å; F385-W387 HydrophobicContact CB-CE3 4.15Å; F385-W387 HydrophobicContact CB-CG 4.49Å; F385-W387 HydrophobicContact CB-CH2 3.78Å; F385-W387 HydrophobicContact CB-CZ2 3.44Å; F385-W387 VanDerWaalsContact CB-CZ2 3.44Å; F385-W387 HydrophobicContact CB-CZ3 4.12Å; F385-W387 AromaticContact CD1-CH2 3.7Å; F385-W387 HydrophobicContact CD1-CH2 3.7Å; F385-W387 AromaticContact CD1-CZ2 3.79Å; F385-W387 HydrophobicContact CD1-CZ2 3.79Å; F385-W387 AromaticContact CD2-CZ2 3.8Å; F385-W387 HydrophobicContact CD2-CZ2 3.8Å; F385-W387 HydrophobicContact CE1-CH2 4.43Å; F385-W387 HydrophobicContact CE1-CZ2 4.48Å; F385-W387 HydrophobicContact CE2-CZ2 4.48Å; F385-W387 AromaticContact CG-CE2 3.9Å; F385-W387 AromaticContact CG-CH2 3.78Å; F385-W387 HydrophobicContact CG-CH2 3.78Å; F385-W387 AromaticContact CG-CZ2 3.4Å; F385-W387 HydrophobicContact CG-CZ2 3.4Å; F385-W387 VanDerWaalsContact CG-CZ2 3.4Å; F385-W387 PolarHBondContact O-N 3.07Å; F385-E388 HydrophobicContact CB-CG 4.46Å; F385-E388 WeakPolarHBondContact O-CB 3.42Å; F385-E388 PolarHBondContact O-N 3.44Å
386	P	98.5	Very high	96.9	Very high	41 Å²	41	57.4 Å²	57.4	27%	0.266	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-58.1	-37.4	-176.6	-29.2	38.4	0	0	0	114.8	L364 E388 V389	L364-P386 HydrophobicContact CB-CB 4.35Å; L364-P386 HydrophobicContact CD2-CB 4.11Å; L364-P386 WeakPolarHBondContact O-CG 3.46Å; P386-E388 PolarHBondContact O-N 2.84Å; P386-V389 PolarHBondContact O-N 3.33Å; P386-V389 VanDerWaalsContact O-N 3.1Å
387	W	98.8	Very high	96.9	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-69.4	-12.2	178.7	54.2	87.7	0	0	0	113.8	Y296 W300 L364 L366 T374 H379 F380 F385	Y296-W387 AromaticContact CD2-CD2 3.73Å; Y296-W387 HydrophobicContact CD2-CD2 3.73Å; Y296-W387 AromaticContact CD2-CE3 3.4Å; Y296-W387 HydrophobicContact CD2-CE3 3.4Å; Y296-W387 AromaticContact CD2-CH2 3.75Å; Y296-W387 HydrophobicContact CD2-CH2 3.75Å; Y296-W387 HydrophobicContact CD2-CZ2 4.04Å; Y296-W387 AromaticContact CD2-CZ3 3.42Å; Y296-W387 HydrophobicContact CD2-CZ3 3.42Å; Y296-W387 VanDerWaalsContact CD2-CZ3 3.42Å; Y296-W387 HydrophobicContact CE1-CZ2 4.47Å; Y296-W387 HydrophobicContact CE2-CD2 4.26Å; Y296-W387 AromaticContact CE2-CE3 3.91Å; Y296-W387 HydrophobicContact CE2-CE3 3.91Å; Y296-W387 AromaticContact CE2-CH2 3.32Å; Y296-W387 HydrophobicContact CE2-CH2 3.32Å; Y296-W387 AromaticContact CE2-CZ2 3.69Å; Y296-W387 HydrophobicContact CE2-CZ2 3.69Å; Y296-W387 AromaticContact CE2-CZ3 3.44Å; Y296-W387 HydrophobicContact CE2-CZ3 3.44Å; Y296-W387 VanDerWaalsContact CE2-CZ3 3.44Å; Y296-W387 AromaticContact CG-CD2 3.93Å; Y296-W387 HydrophobicContact CG-CD2 3.93Å; Y296-W387 HydrophobicContact CG-CE3 4.04Å; Y296-W387 HydrophobicContact CG-CG 4.34Å; Y296-W387 HydrophobicContact CG-CZ3 4.42Å; Y296-W387 AromaticContact CZ-CH2 3.95Å; Y296-W387 AromaticContact CZ-CZ2 3.93Å; Y296-W387 WeakPolarHBondContact O-CB 3.48Å; W300-W387 WeakPolarHBondContact CA-O 3.48Å; W300-W387 HydrophobicContact CB-CB 4.04Å; L364-W387 HydrophobicContact CD1-CB 4.03Å; L364-W387 HydrophobicContact CD2-CB 4.21Å; L366-W387 HydrophobicContact CD2-CE3 4.23Å; L366-W387 HydrophobicContact CD2-CZ3 3.94Å; T374-W387 HydrophobicContact CG2-CH2 3.87Å; T374-W387 HydrophobicContact CG2-CZ2 3.95Å; H379-W387 PolarHBondContact O-NE1 2.99Å; F380-W387 AromaticContact CD1-CD1 3.7Å; F380-W387 AromaticContact CD1-NE1 3.57Å; F380-W387 AromaticContact CE1-NE1 3.95Å; F385-W387 VanDerWaalsContact C-N 3.32Å; F385-W387 HydrophobicContact CB-CD2 3.83Å; F385-W387 VanDerWaalsContact CB-CE2 3.44Å; F385-W387 HydrophobicContact CB-CE3 4.15Å; F385-W387 HydrophobicContact CB-CG 4.49Å; F385-W387 HydrophobicContact CB-CH2 3.78Å; F385-W387 HydrophobicContact CB-CZ2 3.44Å; F385-W387 VanDerWaalsContact CB-CZ2 3.44Å; F385-W387 HydrophobicContact CB-CZ3 4.12Å; F385-W387 AromaticContact CD1-CH2 3.7Å; F385-W387 HydrophobicContact CD1-CH2 3.7Å; F385-W387 AromaticContact CD1-CZ2 3.79Å; F385-W387 HydrophobicContact CD1-CZ2 3.79Å; F385-W387 AromaticContact CD2-CZ2 3.8Å; F385-W387 HydrophobicContact CD2-CZ2 3.8Å; F385-W387 HydrophobicContact CE1-CH2 4.43Å; F385-W387 HydrophobicContact CE1-CZ2 4.48Å; F385-W387 HydrophobicContact CE2-CZ2 4.48Å; F385-W387 AromaticContact CG-CE2 3.9Å; F385-W387 AromaticContact CG-CH2 3.78Å; F385-W387 HydrophobicContact CG-CH2 3.78Å; F385-W387 AromaticContact CG-CZ2 3.4Å; F385-W387 HydrophobicContact CG-CZ2 3.4Å; F385-W387 VanDerWaalsContact CG-CZ2 3.4Å; F385-W387 PolarHBondContact O-N 3.07Å
388	E	98.8	Very high	96.8	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.028	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-91.4	-6.5	174.7	-66.6	-63.1	145.2	0	0	112.9	R299 K303 F380 G381 R382 F385 P386 P390	R299-E388 IonicContact CZ-OE1 2.69Å; R299-E388 IonicContact CZ-OE2 2.61Å; R299-E388 IonicContact NE-OE1 3.45Å; R299-E388 PolarHBondContact NE-OE1 2.83Å; R299-E388 IonicContact NE-OE2 3.28Å; R299-E388 IonicContact NH2-OE1 3.18Å; R299-E388 PolarHBondContact NH2-OE1 3.49Å; R299-E388 IonicContact NH2-OE2 3.33Å; R299-E388 PolarHBondContact NH2-OE2 3.41Å; K303-E388 WeakPolarHBondContact CD-O 3.49Å; K303-E388 WeakPolarHBondContact CD-OE2 3.48Å; K303-E388 WeakPolarHBondContact CE-O 3.17Å; K303-E388 WeakPolarHBondContact CE-OE2 3.27Å; K303-E388 PolarHBondContact NZ-O 3.24Å; K303-E388 IonicContact NZ-OE2 3.49Å; K303-E388 PolarHBondContact NZ-OE2 2.93Å; F380-E388 VanDerWaalsContact CA-OE1 3.26Å; F380-E388 WeakPolarHBondContact CA-OE1 3.38Å; F380-E388 WeakPolarHBondContact CB-OE1 3.5Å; G381-E388 PolarHBondContact N-OE1 3.38Å; G381-E388 PolarHBondContact N-OE2 2.96Å; R382-E388 WeakPolarHBondContact O-CG 3.21Å; F385-E388 HydrophobicContact CB-CG 4.46Å; F385-E388 WeakPolarHBondContact O-CB 3.42Å; F385-E388 PolarHBondContact O-N 3.44Å; P386-E388 PolarHBondContact O-N 2.84Å; E388-P390 WeakPolarHBondContact O-CD 3.07Å
389	V	98.6	Very high	96.7	Very high	90 Å²	90	64.7 Å²	64.7	55%	0.545	32%	0.318	S	S	.	.	S	Bend	trans	-91.1	106.1	174.9	-177	0	0	0	0	109	W300 P386 K391	W300-V389 VanDerWaalsContact CD1-O 3.23Å; W300-V389 PolarHBondContact NE1-O 3.19Å; P386-V389 PolarHBondContact O-N 3.33Å; P386-V389 VanDerWaalsContact O-N 3.1Å; V389-K391 PolarHBondContact O-N 2.9Å
390	P	98.4	Very high	96.5	Very high	57 Å²	57	68.8 Å²	68.8	37%	0.37	34%	0.338	S	S	.	.			trans	-62.6	136.8	-173.9	27	-35.5	0	0	0	111.7	K307 E388	K307-P390 HydrophobicContact CB-CB 3.88Å; K307-P390 HydrophobicContact CB-CG 4.07Å; K307-P390 HydrophobicContact CG-CB 4.16Å; K307-P390 HydrophobicContact CG-CG 4.1Å; E388-P390 WeakPolarHBondContact O-CD 3.07Å
391	K	98.6	Very high	96.4	Very high	58 Å²	58	73 Å²	73	25%	0.252	36%	0.359	S	S	.	.			trans	-73.9	133.2	173.2	-164.3	172.8	-166.2	157.3	0	109.5	W300 S304 N352 F353 E363 V389 L393	W300-K391 HydrophobicContact CH2-CB 4.41Å; W300-K391 HydrophobicContact CH2-CD 3.65Å; W300-K391 HydrophobicContact CH2-CG 4.36Å; W300-K391 HydrophobicContact CZ2-CB 3.61Å; W300-K391 HydrophobicContact CZ2-CD 3.68Å; W300-K391 HydrophobicContact CZ2-CG 3.88Å; W300-K391 HydrophobicContact CZ3-CD 4.49Å; S304-K391 PolarHBondContact OG-N 3.28Å; N352-K391 VanDerWaalsContact O-CE 3.26Å; N352-K391 WeakPolarHBondContact O-CE 3.38Å; N352-K391 PolarHBondContact O-NZ 2.99Å; F353-K391 HydrophobicContact CD1-CD 4.02Å; F353-K391 HydrophobicContact CE1-CB 3.86Å; F353-K391 HydrophobicContact CE1-CD 3.58Å; F353-K391 HydrophobicContact CE1-CG 4.35Å; F353-K391 HydrophobicContact CZ-CB 3.81Å; F353-K391 HydrophobicContact CZ-CD 3.95Å; F353-K391 HydrophobicContact CZ-CG 4.44Å; E363-K391 IonicContact OE2-NZ 2.74Å; E363-K391 PolarHBondContact OE2-NZ 3.14Å; E363-K391 VanDerWaalsContact OE2-NZ 3.14Å; V389-K391 PolarHBondContact O-N 2.9Å; K391-L393 HydrophobicContact CB-CD2 4.36Å; K391-L393 PolarHBondContact O-N 3.04Å
392	K	98.5	Very high	96.3	Very high	198 Å²	198	77.1 Å²	77.1	86%	0.861	37%	0.374	S	S	*	.			trans	-67.9	114.2	168.9	-172.2	176.1	-176.3	175.8	0	109.6
393	L	98.5	Very high	96.3	Very high	17 Å²	17	77.8 Å²	77.8	9%	0.089	38%	0.383	C	S	.	.			trans	-85.7	146.8	-176.5	-53.3	-178.5	0	0	0	111.7	L305 A308 L310 I348 N352 F353 K391 Y395	L305-L393 HydrophobicContact CD2-CD1 3.82Å; A308-L393 HydrophobicContact CB-CD1 3.98Å; A308-L393 HydrophobicContact CB-CG 4.43Å; L310-L393 HydrophobicContact CD1-CD1 3.85Å; I348-L393 HydrophobicContact CG2-CB 4.48Å; I348-L393 HydrophobicContact CG2-CD1 4.28Å; N352-L393 HydrophobicContact CB-CD2 3.96Å; F353-L393 HydrophobicContact CE2-CD2 3.43Å; F353-L393 VanDerWaalsContact CE2-CD2 3.43Å; F353-L393 HydrophobicContact CZ-CD2 3.64Å; K391-L393 HydrophobicContact CB-CD2 4.36Å; K391-L393 PolarHBondContact O-N 3.04Å; L393-Y395 HydrophobicContact CB-CD1 3.74Å; L393-Y395 HydrophobicContact CB-CE1 3.86Å
394	K	97.1	Very high	97.2	Very high	172 Å²	172	71.1 Å²	71.1	75%	0.748	35%	0.353	S	S	*	.			trans	-109.5	120.8	171.2	-59.4	178.7	-176.8	177.3	0	108.9	N352	N352-K394 PolarHBondContact ND2-O 3.4Å; N352-K394 PolarHBondContact OD1-N 3.08Å
395	Y	94.1	Very high	98	Very high	158 Å²	158	72.6 Å²	72.6	62%	0.62	34%	0.344	S	S	*	.			trans	-156.2	0	-177.1	54.8	-94.8	0	0	0	113.9	A308 L310 I348 L393	A308-Y395 HydrophobicContact CB-CE1 4.49Å; A308-Y395 PolarHBondContact O-OH 3.01Å; L310-Y395 HydrophobicContact CD1-CD1 4.1Å; L310-Y395 HydrophobicContact CD1-CE1 3.87Å; L310-Y395 HydrophobicContact CD2-CD2 4.14Å; L310-Y395 HydrophobicContact CD2-CE1 4.15Å; L310-Y395 HydrophobicContact CD2-CE2 3.6Å; L310-Y395 HydrophobicContact CG-CE1 4.2Å; L310-Y395 HydrophobicContact CG-CE2 4.49Å; I348-Y395 HydrophobicContact CD1-CD2 4.42Å; I348-Y395 HydrophobicContact CD1-CG 3.94Å; I348-Y395 HydrophobicContact CG1-CG 4.45Å; I348-Y395 HydrophobicContact CG2-CD1 4.23Å; I348-Y395 HydrophobicContact CG2-CG 4.49Å; L393-Y395 HydrophobicContact CB-CD1 3.74Å; L393-Y395 HydrophobicContact CB-CE1 3.86Å

Retrieved 395 of 395 residues in 3202.8 ms (Link to these results)

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